AF-399/40654061
TL;DR: AF-399/40654061 (CAS 374693-51-3) is a chemical compound with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3-hydroxypropylamino)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one
Also Known As: AF-399/40654061, 5-[(3-hydroxypropyl)amino]-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 8-(3-Hydroxypropylamino)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one, 5-((3-HO-PROPYL)AMINO)-9-PH-8H-THIENO(2',3':4,5)PYRIMIDO(2,1-A)PHTHALAZIN-8-ONE, 8-[(3-hydroxypropyl)amino]-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{12,16}]heptadeca-1(17),2(7),3,5,8,12(16),13-heptaen-11-one
| Molecular Formula | C22H18N4O2S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 3.9187 |
| Topological Polar Surface Area | 79.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.11505 |
| Heavy Atoms | 29 |
| Complexity | 1392.6711 |
Chemical Identifiers
| CAS Number | 374693-51-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)NCCCO |
Product Overview
AF-399/40654061 (CAS 374693-51-3), with molecular formula C22H18N4O2S and molecular weight 402.12 g/mol. IUPAC: 8-(3-hydroxypropylamino)-13-phenyl-15-thia-9,10,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,8,12(16),13-heptaen-11-one.
Chemical Property Profile of AF-399/40654061
Property Insights of AF-399/40654061
The XLogP value of 3.9187 indicates that AF-399/40654061 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.52 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40654061. Following Lipinski's Rule of Five, AF-399/40654061 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-399/40654061?
The CAS number of AF-399/40654061 is 374693-51-3.
What is the molecular formula of AF-399/40654061?
The molecular formula of AF-399/40654061 is C22H18N4O2S.
What is the molecular weight of AF-399/40654061?
The molecular weight of AF-399/40654061 is 402.12 g/mol.
Where can I buy AF-399/40654061?
You can request a quote for AF-399/40654061 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654061?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654061 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.