3P-691S
TL;DR: 3P-691S (CAS 478033-63-5) is a chemical compound with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-4-methoxybenzenesulfonamide
Also Known As: 3P-691S, N-{2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl}-4-methoxybenzenesulfonamide, N-[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylphenyl]-4-methoxybenzenesulfonamide, N-{2-[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]phenyl}-4-methoxybenzene-1-sulfonamide, N-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylphenyl]-4-methoxy-benzenesulfonamide
| Molecular Formula | C21H19N3O3S2 |
|---|---|
| Molecular Weight | 425.09 g/mol |
| LogP | 4.53072 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.0868 |
| Heavy Atoms | 29 |
| Complexity | 1184.7834 |
Chemical Identifiers
| CAS Number | 478033-63-5 |
|---|---|
| SMILES | CC1=CC(=NC(=C1C#N)SC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)OC)C |
Product Overview
3P-691S (CAS 478033-63-5), with molecular formula C21H19N3O3S2 and molecular weight 425.09 g/mol. IUPAC: N-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]phenyl]-4-methoxybenzenesulfonamide.
Chemical Property Profile of 3P-691S
Property Insights of 3P-691S
The XLogP value of 4.53072 indicates that 3P-691S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 3P-691S. Following Lipinski's Rule of Five, 3P-691S 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 3P-691S?
The CAS number of 3P-691S is 478033-63-5.
What is the molecular formula of 3P-691S?
The molecular formula of 3P-691S is C21H19N3O3S2.
What is the molecular weight of 3P-691S?
The molecular weight of 3P-691S is 425.09 g/mol.
Where can I buy 3P-691S?
You can request a quote for 3P-691S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3P-691S?
Yes, KEHONG BIO provides custom synthesis services for 3P-691S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.