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Screening compounds

Azd-1305

Also known as AZD 1305, (2-(7-(2-(4-Cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)carbamic acid tert-butyl ester, Carbamic acid, (2-(7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)-, 1,1-dimethylethyl ester

CAS 872045-91-5Formula C22H31FN4O4Molar mass 434.51 g/molEC 642-445-9
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Serious health hazard
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Azd-1305 chemical structure, C22H31FN4O4, CAS 872045-91-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
872045-91-5
Formula
C22H31FN4O4
Molar mass
434.51 g/mol
EC number
642-445-9
HS code
293499
Category
Screening compounds

What is Azd-1305?

Plain description, key identifiers and synonyms

Azd-1305 is a chemical substance with the molecular formula C22H31FN4O4 and a molar mass of 434.51 g/mol. Its CAS registry number is 872045-91-5. The IUPAC name is tert-butyl N-[2-[(1S,5R)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
tert-butyl N-[2-[(1S,5R)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate
CAS number
872045-91-5Other or deprecated CAS: 1029940-67-7
EC numbers
642-445-9, 682-619-1
Molecular formula
C22H31FN4O4
UNII
CZO834LXQM
InChIKey
BLLNYXOLLAVTRF-HDICACEKSA-N
InChI
InChI=1S/C22H31FN4O4/c1-22(2,3)31-21(28)25-6-7-26-12-17-14-27(15-18(13-26)30-17)8-9-29-20-5-4-16(11-24)10-19(20)23/h4-5,10,17-18H,6-9,12-15H2,1-3H3,(H,25,28)/t17-,18+
Canonical SMILES
CC(C)(C)OC(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2
Isomeric SMILES
CC(C)(C)OC(=O)NCCN1C[C@@H]2CN(C[C@H](C1)O2)CCOC3=C(C=C(C=C3)C#N)F

Synonyms

  • AZD 1305
  • (2-(7-(2-(4-Cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)carbamic acid tert-butyl ester
  • Carbamic acid, (2-(7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)-, 1,1-dimethylethyl ester
  • tert-Butyl (2-(7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)non-3-yl)ethyl)carbamate
  • [2-[7-[2-(4-Cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl]ethyl]carbamic acid tert-butyl ester
  • tert-butyl N-(2-((1R,5S)-7-(2-(4-cyano-2-fluorophenoxy)ethyl)-9-oxa-3,7-diazabicyclo(3.3.1)nonan-3-yl)ethyl)carbamate
  • tert-butyl N-{2-[(1R,5S)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl}carbamate
  • 2-Methyl-2-propanyl (2-{7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)carbamate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
434.51 g/molcalc.
Exact mass
434.2329 Dacalc.
LogP (octanol/water)
1.99calc.
Topological polar surface area
87.06 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
7calc.
Rotatable bonds
7calc.
Heavy atoms
31calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.64calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(OCCN2CC3CNCC(C2)O3)cc1

c1ccc(OCCN2CC3CNCC(C2)O3)cc1

3 rings, 18 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301Toxic if swallowed.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (9)
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

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Azd-1305 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Azd-1305 is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Azd-1305 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Azd-1305, based on the data on this page

What is Azd-1305?

Azd-1305 is a chemical substance with the molecular formula C22H31FN4O4 and a molar mass of 434.51 g/mol. Its CAS registry number is 872045-91-5. The IUPAC name is tert-butyl N-[2-[(1S,5R)-7-[2-(4-cyano-2-fluorophenoxy)ethyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamate.

What is the CAS number of Azd-1305?

The CAS registry number of Azd-1305 is 872045-91-5. Other or deprecated CAS numbers: 1029940-67-7.

What is the molecular formula and weight of Azd-1305?

The molecular formula of Azd-1305 is C22H31FN4O4 and its molar mass is 434.51 g/mol.

What is Azd-1305 used for?

Known uses and roles of Azd-1305 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Azd-1305 hazardous?

Azd-1305 carries the GHS signal word "Danger". Main hazards: toxic if swallowed, may cause damage to organs through prolonged or repeated exposure. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Azd-1305?

Azd-1305 is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Azd-1305?

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What is the price of Azd-1305?

Suppliers quote Azd-1305 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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