![4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide structure](/static/products/2132/21322-98-5.webp)
4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide
TL;DR: 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide (CAS 21322-98-5) is a chemical compound with molecular formula C12H10ClN5O2S and molecular weight 323.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-chloropurin-9-yl)methyl]benzenesulfonamide
Also Known As: N-Isopropenyl-N-methyl-anilin, 4-[(6-chloropurin-9-yl)methyl]benzenesulfonamide, 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide, 4-((6-Chloro-9H-purin-9-yl)methyl)benzenesulfonamide, 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide #
| Molecular Formula | C12H10ClN5O2S |
|---|---|
| Molecular Weight | 323.02 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.02438 |
| Heavy Atoms | 21 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 21322-98-5 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)S(=O)(=O)N |
| InChIKey | YOJOHUHVXSCRQF-UHFFFAOYSA-N |
Product Overview
4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide (CAS 21322-98-5), with molecular formula C12H10ClN5O2S and molecular weight 323.02 g/mol. IUPAC: 4-[(6-chloropurin-9-yl)methyl]benzenesulfonamide.
Chemical Property Profile of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide
Property Insights of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide. Following Lipinski's Rule of Five, 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide has 1 hydrogen bond donor(s) and 6 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 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide?
The CAS number of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide is 21322-98-5.
What is the molecular formula of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide?
The molecular formula of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide is C12H10ClN5O2S.
What is the molecular weight of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide?
The molecular weight of 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide is 323.02 g/mol.
Where can I buy 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide?
You can request a quote for 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-Chloro-9H-purin-9-yl)methyl]benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.