8P-538S
TL;DR: 8P-538S (CAS 478256-91-6) is a chemical compound with molecular formula C19H20Cl2N4O2S and molecular weight 438.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile
Also Known As: 8P-538S, 2-{4-[(2,4-dichlorophenyl)sulfonyl]-1,4-diazepan-1-yl}-4,6-dimethylnicotinonitrile, 2-[4-(2,4-dichlorobenzenesulfonyl)-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile, 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile, 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethyl-pyridine-3-carbonitrile
| Molecular Formula | C19H20Cl2N4O2S |
|---|---|
| Molecular Weight | 438.07 g/mol |
| LogP | 3.77792 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 438.0684 |
| Heavy Atoms | 28 |
| Complexity | 1050.6296 |
Chemical Identifiers
| CAS Number | 478256-91-6 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)N2CCCN(CC2)S(=O)(=O)C3=C(C=C(C=C3)Cl)Cl)C |
Product Overview
8P-538S (CAS 478256-91-6), with molecular formula C19H20Cl2N4O2S and molecular weight 438.07 g/mol. IUPAC: 2-[4-(2,4-dichlorophenyl)sulfonyl-1,4-diazepan-1-yl]-4,6-dimethylpyridine-3-carbonitrile.
Chemical Property Profile of 8P-538S
Property Insights of 8P-538S
The XLogP value of 3.77792 indicates that 8P-538S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8P-538S. Following Lipinski's Rule of Five, 8P-538S has 0 hydrogen bond donor(s) and 5 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 8P-538S?
The CAS number of 8P-538S is 478256-91-6.
What is the molecular formula of 8P-538S?
The molecular formula of 8P-538S is C19H20Cl2N4O2S.
What is the molecular weight of 8P-538S?
The molecular weight of 8P-538S is 438.07 g/mol.
Where can I buy 8P-538S?
You can request a quote for 8P-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8P-538S?
Yes, KEHONG BIO provides custom synthesis services for 8P-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.