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Screening compounds

Orb1740523

CAS 635678-85-2Formula C11H19N5O5Molar mass 301.30 g/mol
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Orb1740523 chemical structure, C11H19N5O5, CAS 635678-85-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
635678-85-2
Formula
C11H19N5O5
Molar mass
301.30 g/mol
HS code
293359
Category
Screening compounds

What is Orb1740523?

Plain description, key identifiers and synonyms

Orb1740523 is a chemical substance with the molecular formula C11H19N5O5 and a molar mass of 301.30 g/mol. Its CAS registry number is 635678-85-2. The IUPAC name is 2-amino-9-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one, dihydrate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-amino-9-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one, dihydrate
CAS number
635678-85-2
Molecular formula
C11H19N5O5
UNII
N157UG61BS
InChIKey
HTUHJQCXWWQZLP-BQLITABNSA-N
InChI
InChI=1S/C11H15N5O3.2H2O/c12-10-14-8-7(9(19)15-10)13-5-16(8)3-11(4-18)1-6(11)2-17;;/h5-6,17-18H,1-4H2,(H3,12,14,15,19);2*1H2/t6-,11-;;/m0../s1
Canonical SMILES
Nc1nc2c(ncn2CC2(CO)CC2CO)c(=O)[nH]1.O.O
Isomeric SMILES
C1[C@H]([C@@]1(CN2C=NC3=C2N=C(NC3=O)N)CO)CO.O.O

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
301.30 g/molcalc.
Exact mass
301.1386 Dacalc.
LogP (octanol/water)
-2.96calc.
Topological polar surface area
193.1 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.55calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
3calc.
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, O=c1[nH]cnc2c1ncn2CC1CC1

O=c1[nH]cnc2c1ncn2CC1CC1

3 rings, 14 atoms.

4 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.

Orb1740523 suppliers

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Orb1740523 price

Indicative price range per kg from live supplier offers

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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 Orb1740523 is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Orb1740523 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Orb1740523, based on the data on this page

What is Orb1740523?

Orb1740523 is a chemical substance with the molecular formula C11H19N5O5 and a molar mass of 301.30 g/mol. Its CAS registry number is 635678-85-2. The IUPAC name is 2-amino-9-[[(1S,2R)-1,2-bis(hydroxymethyl)cyclopropyl]methyl]-1H-purin-6-one, dihydrate.

What is the CAS number of Orb1740523?

The CAS registry number of Orb1740523 is 635678-85-2.

What is the molecular formula and weight of Orb1740523?

The molecular formula of Orb1740523 is C11H19N5O5 and its molar mass is 301.30 g/mol.

What is Orb1740523 used for?

Known uses and roles of Orb1740523 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Orb1740523 hazardous?

No GHS hazard classification for Orb1740523 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 Orb1740523?

Orb1740523 is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Orb1740523?

Post a free request on CompoundList and suppliers of Orb1740523 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Orb1740523?

Suppliers quote Orb1740523 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 Orb1740523

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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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