AF-399/42099963
TL;DR: AF-399/42099963 (CAS 614747-58-9) is a chemical compound with molecular formula C23H21N5O2 and molecular weight 399.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-N-[(4-methylphenyl)methyl]-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: AF-399/42099963, F1425-2255, 1-allyl-2-imino-N-(4-methylbenzyl)-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-allyl-2-imino-N-(4-methylbenzyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 6-imino-N-[(4-methylphenyl)methyl]-2-oxo-7-(prop-2-en-1-yl)-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
| Molecular Formula | C23H21N5O2 |
|---|---|
| Molecular Weight | 399.17 g/mol |
| LogP | 2.55309 |
| Topological Polar Surface Area | 92.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.16953 |
| Heavy Atoms | 30 |
| Complexity | 1397.8053 |
Chemical Identifiers
| CAS Number | 614747-58-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC=C |
Product Overview
AF-399/42099963 (CAS 614747-58-9), with molecular formula C23H21N5O2 and molecular weight 399.17 g/mol. IUPAC: 6-imino-N-[(4-methylphenyl)methyl]-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of AF-399/42099963
Property Insights of AF-399/42099963
The XLogP value of 2.55309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/42099963. The TPSA of 92.25 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42099963. Following Lipinski's Rule of Five, AF-399/42099963 has 2 hydrogen bond donor(s) and 4 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-399/42099963?
The CAS number of AF-399/42099963 is 614747-58-9.
What is the molecular formula of AF-399/42099963?
The molecular formula of AF-399/42099963 is C23H21N5O2.
What is the molecular weight of AF-399/42099963?
The molecular weight of AF-399/42099963 is 399.17 g/mol.
Where can I buy AF-399/42099963?
You can request a quote for AF-399/42099963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42099963?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42099963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.