AF-399/40654073
TL;DR: AF-399/40654073 (CAS 374693-52-4) is a chemical compound with molecular formula C26H17N3OS2 and molecular weight 451.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-methylphenyl)sulfanyl-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-399/40654073, 5-[(4-methylphenyl)sulfanyl]-9-phenyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 5-((4-METHYL-PH)THIO)-9-PH-8H-THIENO(2',3':4,5)PYRIMIDO(2,1-A)PHTHALAZIN-8-ONE, 5-(4-methylphenylthio)-9-phenyl-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]pyrim idin-8-one, 9-phenyl-5-(p-tolylthio)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
| Molecular Formula | C26H17N3OS2 |
|---|---|
| Molecular Weight | 451.08 g/mol |
| LogP | 6.58402 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.0813 |
| Heavy Atoms | 32 |
| Complexity | 1669.6466 |
Chemical Identifiers
| CAS Number | 374693-52-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=NN3C(=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5)C6=CC=CC=C62 |
Product Overview
AF-399/40654073 (CAS 374693-52-4), with molecular formula C26H17N3OS2 and molecular weight 451.08 g/mol. IUPAC: 8-(4-methylphenyl)sulfanyl-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-399/40654073
Property Insights of AF-399/40654073
The XLogP value of 6.58402 indicates that AF-399/40654073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.26 Ų, AF-399/40654073 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40654073 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40654073?
The CAS number of AF-399/40654073 is 374693-52-4.
What is the molecular formula of AF-399/40654073?
The molecular formula of AF-399/40654073 is C26H17N3OS2.
What is the molecular weight of AF-399/40654073?
The molecular weight of AF-399/40654073 is 451.08 g/mol.
Where can I buy AF-399/40654073?
You can request a quote for AF-399/40654073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654073?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.