AF-399/41725092
TL;DR: AF-399/41725092 (CAS 608104-12-7) is a chemical compound with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorophenyl)sulfonyl-6-imino-11-methyl-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: AF-399/41725092, AB00675608-01, 3-((4-chlorophenyl)sulfonyl)-2-imino-10-methyl-1-(pyridin-4-ylmethyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, F1673-2078, 5-(4-chlorobenzenesulfonyl)-6-imino-11-methyl-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaen-2-one
| Molecular Formula | C24H18ClN5O3S |
|---|---|
| Molecular Weight | 491.08 g/mol |
| LogP | 3.36659 |
| Topological Polar Surface Area | 110.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.08188 |
| Heavy Atoms | 34 |
| Complexity | 1795.6201 |
Chemical Identifiers
| CAS Number | 608104-12-7 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=NC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl |
Product Overview
AF-399/41725092 (CAS 608104-12-7), with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-11-methyl-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of AF-399/41725092
Property Insights of AF-399/41725092
The XLogP value of 3.36659 indicates that AF-399/41725092 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41725092. Following Lipinski's Rule of Five, AF-399/41725092 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 AF-399/41725092?
The CAS number of AF-399/41725092 is 608104-12-7.
What is the molecular formula of AF-399/41725092?
The molecular formula of AF-399/41725092 is C24H18ClN5O3S.
What is the molecular weight of AF-399/41725092?
The molecular weight of AF-399/41725092 is 491.08 g/mol.
Where can I buy AF-399/41725092?
You can request a quote for AF-399/41725092 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41725092?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41725092 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.