AF-399/42762404
TL;DR: AF-399/42762404 (CAS 791786-46-4) is a chemical compound with molecular formula C22H17N7O3 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AF-399/42762404, 6-Imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-N-(5-methyl-1,2-oxazol-3-yl)-5-oxo-1-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-N-(5-methyl-3-isoxazolyl)-5-oxo-1-(3-pyridinylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H17N7O3 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 2.12069 |
| Topological Polar Surface Area | 131.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.13928 |
| Heavy Atoms | 32 |
| Complexity | 1599.5402 |
Chemical Identifiers
| CAS Number | 791786-46-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5 |
Product Overview
AF-399/42762404 (CAS 791786-46-4), with molecular formula C22H17N7O3 and molecular weight 427.14 g/mol. IUPAC: 6-imino-N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AF-399/42762404
Property Insights of AF-399/42762404
The XLogP value of 2.12069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42762404. The TPSA of 131.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42762404. Following Lipinski's Rule of Five, AF-399/42762404 has 2 hydrogen bond donor(s) and 7 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-399/42762404?
The CAS number of AF-399/42762404 is 791786-46-4.
What is the molecular formula of AF-399/42762404?
The molecular formula of AF-399/42762404 is C22H17N7O3.
What is the molecular weight of AF-399/42762404?
The molecular weight of AF-399/42762404 is 427.14 g/mol.
Where can I buy AF-399/42762404?
You can request a quote for AF-399/42762404 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42762404?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42762404 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.