AF-399/42100599
TL;DR: AF-399/42100599 (CAS 606958-44-5) is a chemical compound with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-5-(4-methylphenyl)sulfonyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: AF-399/42100599, 2-imino-3-[(4-methylphenyl)sulfonyl]-1-propyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 2-imino-1-propyl-3-tosyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 6-Imino-5-(4-methylphenyl)sulfonyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 2-imino-3-[(4-methylphenyl)sulfonyl]-1-propyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
| Molecular Formula | C21H20N4O3S |
|---|---|
| Molecular Weight | 408.13 g/mol |
| LogP | 2.67989 |
| Topological Polar Surface Area | 97.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.1256 |
| Heavy Atoms | 29 |
| Complexity | 1466.6051 |
Chemical Identifiers
| CAS Number | 606958-44-5 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)N4C=CC=CC4=N2 |
Product Overview
AF-399/42100599 (CAS 606958-44-5), with molecular formula C21H20N4O3S and molecular weight 408.13 g/mol. IUPAC: 6-imino-5-(4-methylphenyl)sulfonyl-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one.
Chemical Property Profile of AF-399/42100599
Property Insights of AF-399/42100599
The XLogP value of 2.67989 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42100599. The TPSA of 97.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42100599. Following Lipinski's Rule of Five, AF-399/42100599 has 1 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 AF-399/42100599?
The CAS number of AF-399/42100599 is 606958-44-5.
What is the molecular formula of AF-399/42100599?
The molecular formula of AF-399/42100599 is C21H20N4O3S.
What is the molecular weight of AF-399/42100599?
The molecular weight of AF-399/42100599 is 408.13 g/mol.
Where can I buy AF-399/42100599?
You can request a quote for AF-399/42100599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42100599?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42100599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.