AF-399/42100600
TL;DR: AF-399/42100600 (CAS 371141-33-2) is a chemical compound with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2-hydroxyethyl)-6-imino-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: AF-399/42100600, 1-(2-hydroxyethyl)-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 7-(2-Hydroxyethyl)-6-imino-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 1-(2-hydroxyethyl)-2-imino-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 1-(2-hydroxyethyl)-2-imino-3-[(4-methylphenyl)sulfonyl]-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C20H18N4O4S |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 1.26219 |
| Topological Polar Surface Area | 117.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1049 |
| Heavy Atoms | 29 |
| Complexity | 1469.16 |
Chemical Identifiers
| CAS Number | 371141-33-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CCO |
Product Overview
AF-399/42100600 (CAS 371141-33-2), with molecular formula C20H18N4O4S and molecular weight 410.10 g/mol. IUPAC: 7-(2-hydroxyethyl)-6-imino-5-(4-methylphenyl)sulfonyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of AF-399/42100600
Property Insights of AF-399/42100600
The XLogP value of 1.26219 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42100600. The TPSA of 117.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100600. Following Lipinski's Rule of Five, AF-399/42100600 has 2 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-399/42100600?
The CAS number of AF-399/42100600 is 371141-33-2.
What is the molecular formula of AF-399/42100600?
The molecular formula of AF-399/42100600 is C20H18N4O4S.
What is the molecular weight of AF-399/42100600?
The molecular weight of AF-399/42100600 is 410.10 g/mol.
Where can I buy AF-399/42100600?
You can request a quote for AF-399/42100600 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100600?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100600 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.