9H-嘌呤-6-甲腈
TL;DR: 9H-嘌呤-6-甲腈 (CAS 2036-13-7) is a chemical compound with molecular formula C6H3N5 and molecular weight 145.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9H-嘌呤-6-甲腈
7H-purine-6-carbonitrile
Also Known As: 6-Cyanopurine, 7h-purine-6-carbonitrile, Purine-6-carbonitrile, 1H-Purine-6-carbonitrile, 6-Purinecarbonitrile
| Molecular Formula | C6H3N5 |
|---|---|
| Molecular Weight | 145.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.03885 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 2036-13-7 |
|---|---|
| SMILES | C1=NC2=NC=NC(=C2N1)C#N |
| InChIKey | NHYQQYMSESLQDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-嘌呤-6-甲腈 (CAS 2036-13-7), with molecular formula C6H3N5 and molecular weight 145.04 g/mol. IUPAC: 7H-purine-6-carbonitrile.
Chemical Property Profile of 9H-嘌呤-6-甲腈
Property Insights of 9H-嘌呤-6-甲腈
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-嘌呤-6-甲腈. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 9H-嘌呤-6-甲腈. Following Lipinski's Rule of Five, 9H-嘌呤-6-甲腈 has 1 hydrogen bond donor(s) and 4 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 9H-嘌呤-6-甲腈?
The CAS number of 9H-嘌呤-6-甲腈 is 2036-13-7.
What is the molecular formula of 9H-嘌呤-6-甲腈?
The molecular formula of 9H-嘌呤-6-甲腈 is C6H3N5.
What is the molecular weight of 9H-嘌呤-6-甲腈?
The molecular weight of 9H-嘌呤-6-甲腈 is 145.04 g/mol.
Where can I buy 9H-嘌呤-6-甲腈?
You can request a quote for 9H-嘌呤-6-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-嘌呤-6-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 9H-嘌呤-6-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.