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Heterocyclic building blocks

Orb3174117

CAS 146877-36-3Formula C45H70N4O10Molar mass 827.07 g/mol
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Orb3174117 chemical structure, C45H70N4O10, CAS 146877-36-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
146877-36-3
Formula
C45H70N4O10
Molar mass
827.07 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is Orb3174117?

Plain description, key identifiers and synonyms

Orb3174117 is a chemical substance with the molecular formula C45H70N4O10 and a molar mass of 827.07 g/mol. Its CAS registry number is 146877-36-3. The IUPAC name is 12-[1-(4-azido-3-prop-2-enoxycyclohexyl)prop-1-en-2-yl]-17-ethyl-1-hydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
12-[1-(4-azido-3-prop-2-enoxycyclohexyl)prop-1-en-2-yl]-17-ethyl-1-hydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
CAS number
146877-36-3
Molecular formula
C45H70N4O10
InChIKey
PVLIISVLZOUFCG-UHFFFAOYSA-N
InChI
InChI=1S/C45H70N4O10/c1-10-20-57-37-26-32(16-17-34(37)47-48-46)24-30(6)40-29(5)15-18-36(50)33(11-2)22-27(3)21-28(4)23-38(55-8)41-39(56-9)25-31(7)45(54,59-41)42(51)43(52)49-19-13-12-14-35(49)44(53)58-40/h10,22,24,28-29,31-35,37-41,54H,1,11-21,23,25-26H2,2-9H3
SMILES (canonical and isomeric)
CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(CCC1=O)C)C(=CC4CCC(C(C4)OCC=C)N=[N+]=[N-])C)O)C)OC)OC)C)C

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
827.07 g/molcalc.
Exact mass
826.5092 Dacalc.
LogP (octanol/water)
7.38calc.
Topological polar surface area
186.7 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
9calc.
Heavy atoms
59calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.78calc.
Formal charge
0calc.
Stereocentres
13calc.
Lipinski rule of five
Fails (3 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, O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1

O=C1CC=CCCCCC2CCCC(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C=CC2CCCCC2)CCC1

4 rings, 40 atoms.

74 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Orb3174117 suppliers

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Orb3174117 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 Orb3174117 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 Orb3174117 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb3174117, based on the data on this page

What is Orb3174117?

Orb3174117 is a chemical substance with the molecular formula C45H70N4O10 and a molar mass of 827.07 g/mol. Its CAS registry number is 146877-36-3.

What is the CAS number of Orb3174117?

The CAS registry number of Orb3174117 is 146877-36-3.

What is the molecular formula and weight of Orb3174117?

The molecular formula of Orb3174117 is C45H70N4O10 and its molar mass is 827.07 g/mol.

What is Orb3174117 used for?

Known uses and roles of Orb3174117 include building blocks in research and laboratory.

Is Orb3174117 hazardous?

No GHS hazard classification for Orb3174117 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Orb3174117?

Orb3174117 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 Orb3174117?

Post a free request on CompoundList and suppliers of Orb3174117 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb3174117?

Suppliers quote Orb3174117 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Orb3174117

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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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