6-氯-9H-嘌呤-9-丙腈
TL;DR: 6-氯-9H-嘌呤-9-丙腈 (CAS 54187-56-3) is a chemical compound with molecular formula C8H6ClN5 and molecular weight 207.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-氯-9H-嘌呤-9-丙腈
3-(6-chloropurin-9-yl)propanenitrile
Also Known As: 3-(6-chloro-9H-purin-9-yl)propanenitrile, 9h-purine-9-propanenitrile, 6-chloro-, 3-(6-chloropurin-9-yl)propanenitrile, 6-chloro-9H-Purine-9-propanenitrile, 3-(6-chloro-9H-purin-9-yl)-propionitrile
| Molecular Formula | C8H6ClN5 |
|---|---|
| Molecular Weight | 207.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.03117 |
| Heavy Atoms | 14 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 54187-56-3 |
|---|---|
| SMILES | C1=NC2=C(C(=N1)Cl)N=CN2CCC#N |
| InChIKey | HLBNMSUAAPNUJF-UHFFFAOYSA-N |
Product Overview
6-氯-9H-嘌呤-9-丙腈 (CAS 54187-56-3), with molecular formula C8H6ClN5 and molecular weight 207.03 g/mol. IUPAC: 3-(6-chloropurin-9-yl)propanenitrile.
Chemical Property Profile of 6-氯-9H-嘌呤-9-丙腈
Property Insights of 6-氯-9H-嘌呤-9-丙腈
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-氯-9H-嘌呤-9-丙腈. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-氯-9H-嘌呤-9-丙腈. Following Lipinski's Rule of Five, 6-氯-9H-嘌呤-9-丙腈 has 0 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 6-氯-9H-嘌呤-9-丙腈?
The CAS number of 6-氯-9H-嘌呤-9-丙腈 is 54187-56-3.
What is the molecular formula of 6-氯-9H-嘌呤-9-丙腈?
The molecular formula of 6-氯-9H-嘌呤-9-丙腈 is C8H6ClN5.
What is the molecular weight of 6-氯-9H-嘌呤-9-丙腈?
The molecular weight of 6-氯-9H-嘌呤-9-丙腈 is 207.03 g/mol.
Where can I buy 6-氯-9H-嘌呤-9-丙腈?
You can request a quote for 6-氯-9H-嘌呤-9-丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-氯-9H-嘌呤-9-丙腈?
Yes, KEHONG BIO provides custom synthesis services for 6-氯-9H-嘌呤-9-丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.