7-CN-7-deaza-acycloA
TL;DR: 7-CN-7-deaza-acycloA (CAS 118043-69-9) is a chemical compound with molecular formula C11H13N5O3 and molecular weight 263.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: 7-CN-7-deaza-acycloA, 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-, 4-Amino-5-cyano-7-((1,3-dihydroxy-2-propoxy)methyl)pyrrolo(2,3-d)pyrimidine, 4-Amino-5-cyano-7-[(1,3-dihydroxy-2-propoxy)methyl]pyrrolo[2,3-d]pyrimidine, 3H-Pyrazol-3-one,2,4-dihydro-5-methyl-2-4-(trifluoromethyl)phenyl
| Molecular Formula | C11H13N5O3 |
|---|---|
| Molecular Weight | 263.10 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 263.10184 |
| Heavy Atoms | 19 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 118043-69-9 |
|---|---|
| SMILES | C1=C(C2=C(N=CN=C2N1COC(CO)CO)N)C#N |
| InChIKey | VDFKVPHKTHDMBO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-CN-7-deaza-acycloA (CAS 118043-69-9), with molecular formula C11H13N5O3 and molecular weight 263.10 g/mol. IUPAC: 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of 7-CN-7-deaza-acycloA
Property Insights of 7-CN-7-deaza-acycloA
The XLogP value of -1.4 indicates that 7-CN-7-deaza-acycloA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-CN-7-deaza-acycloA. Following Lipinski's Rule of Five, 7-CN-7-deaza-acycloA has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-CN-7-deaza-acycloA?
The CAS number of 7-CN-7-deaza-acycloA is 118043-69-9.
What is the molecular formula of 7-CN-7-deaza-acycloA?
The molecular formula of 7-CN-7-deaza-acycloA is C11H13N5O3.
What is the molecular weight of 7-CN-7-deaza-acycloA?
The molecular weight of 7-CN-7-deaza-acycloA is 263.10 g/mol.
Where can I buy 7-CN-7-deaza-acycloA?
You can request a quote for 7-CN-7-deaza-acycloA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-CN-7-deaza-acycloA?
Yes, KEHONG BIO provides custom synthesis services for 7-CN-7-deaza-acycloA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.