AF-399/42864008
TL;DR: AF-399/42864008 (CAS 606961-89-1) 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-13-methyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
Also Known As: AF-399/42864008, 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-(3-pyridinylmethyl)-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one, 5-(4-Chlorophenyl)sulfonyl-6-imino-13-methyl-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one, 3-((4-chlorophenyl)sulfonyl)-2-imino-8-methyl-1-(pyridin-3-ylmethyl)-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one, 3-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-8-METHYL-1-(3-PYRIDYLMETHYL)-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-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 | 606961-89-1 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4=CN=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl)C=C1 |
Product Overview
AF-399/42864008 (CAS 606961-89-1), with molecular formula C24H18ClN5O3S and molecular weight 491.08 g/mol. IUPAC: 5-(4-chlorophenyl)sulfonyl-6-imino-13-methyl-7-(pyridin-3-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-399/42864008
Property Insights of AF-399/42864008
The XLogP value of 3.36659 indicates that AF-399/42864008 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-399/42864008. Following Lipinski's Rule of Five, AF-399/42864008 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-399/42864008?
The CAS number of AF-399/42864008 is 606961-89-1.
What is the molecular formula of AF-399/42864008?
The molecular formula of AF-399/42864008 is C24H18ClN5O3S.
What is the molecular weight of AF-399/42864008?
The molecular weight of AF-399/42864008 is 491.08 g/mol.
Where can I buy AF-399/42864008?
You can request a quote for AF-399/42864008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42864008?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42864008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.