AF-399/40881193
TL;DR: AF-399/40881193 (CAS 375807-48-0) is a chemical compound with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
Also Known As: AF-399/40881193, N-(4-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide, N-(4-hydroxyphenyl)-2-[(4-methylphenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, N-(4-hydroxyphenyl){2-[(4-methylphenyl)sulfonyl](3-1,2,3,4-tetrahydroisoquinol yl)}carboxamide
| Molecular Formula | C23H22N2O4S |
|---|---|
| Molecular Weight | 422.13 g/mol |
| LogP | 3.45492 |
| Topological Polar Surface Area | 86.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.13004 |
| Heavy Atoms | 30 |
| Complexity | 1172.5848 |
Chemical Identifiers
| CAS Number | 375807-48-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3CC2C(=O)NC4=CC=C(C=C4)O |
Product Overview
AF-399/40881193 (CAS 375807-48-0), with molecular formula C23H22N2O4S and molecular weight 422.13 g/mol. IUPAC: N-(4-hydroxyphenyl)-2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide.
Chemical Property Profile of AF-399/40881193
Property Insights of AF-399/40881193
The XLogP value of 3.45492 indicates that AF-399/40881193 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40881193. Following Lipinski's Rule of Five, AF-399/40881193 has 2 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 AF-399/40881193?
The CAS number of AF-399/40881193 is 375807-48-0.
What is the molecular formula of AF-399/40881193?
The molecular formula of AF-399/40881193 is C23H22N2O4S.
What is the molecular weight of AF-399/40881193?
The molecular weight of AF-399/40881193 is 422.13 g/mol.
Where can I buy AF-399/40881193?
You can request a quote for AF-399/40881193 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40881193?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40881193 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.