二苯并芘
TL;DR: 二苯并芘 (CAS 58615-36-4) is a chemical compound with molecular formula C11H9ClN2O2S2 and molecular weight 299.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二苯并芘
4-(3-chlorophenyl)sulfanylpyridine-3-sulfonamide
Also Known As: 4-((3-CHLOROPHENYL)THIO)-3-PYRIDINESULFONAMIDE, 4-(3-chlorophenyl)sulfanylpyridine-3-sulfonamide, Benzothiet-2-carbonsaeuremethylester, AJ-333/25005985, 3-pyridinesulfonamide, 4-[(3-chlorophenyl)thio]-
| Molecular Formula | C11H9ClN2O2S2 |
|---|---|
| Molecular Weight | 299.98 g/mol |
| LogP | 2.5336 |
| Topological Polar Surface Area | 73.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.9794 |
| Heavy Atoms | 18 |
| Complexity | 674.24835 |
Chemical Identifiers
| CAS Number | 58615-36-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)SC2=C(C=NC=C2)S(=O)(=O)N |
Product Overview
二苯并芘 (CAS 58615-36-4), with molecular formula C11H9ClN2O2S2 and molecular weight 299.98 g/mol. IUPAC: 4-(3-chlorophenyl)sulfanylpyridine-3-sulfonamide.
Chemical Property Profile of 二苯并芘
Property Insights of 二苯并芘
The XLogP value of 2.5336 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二苯并芘. The TPSA of 73.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 二苯并芘. Following Lipinski's Rule of Five, 二苯并芘 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 二苯并芘?
The CAS number of 二苯并芘 is 58615-36-4.
What is the molecular formula of 二苯并芘?
The molecular formula of 二苯并芘 is C11H9ClN2O2S2.
What is the molecular weight of 二苯并芘?
The molecular weight of 二苯并芘 is 299.98 g/mol.
Where can I buy 二苯并芘?
You can request a quote for 二苯并芘 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二苯并芘?
Yes, KEHONG BIO provides custom synthesis services for 二苯并芘 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.