AF-399/40654057
TL;DR: AF-399/40654057 (CAS 379244-75-4) is a chemical compound with molecular formula C21H15N3OS2 and molecular weight 389.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,14-dimethyl-8-phenylsulfanyl-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-399/40654057, 13,14-dimethyl-8-(phenylsulfanyl)-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, 13,14-Dimethyl-8-phenylsulfanyl-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, 9,10-dimethyl-5-(phenylsulfanyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 9,10-dimethyl-5-phenylthio-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]pyrimidin- 8-one
| Molecular Formula | C21H15N3OS2 |
|---|---|
| Molecular Weight | 389.07 g/mol |
| LogP | 5.22544 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 389.06564 |
| Heavy Atoms | 27 |
| Complexity | 1387.5308 |
Chemical Identifiers
| CAS Number | 379244-75-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)SC5=CC=CC=C5)C |
Product Overview
AF-399/40654057 (CAS 379244-75-4), with molecular formula C21H15N3OS2 and molecular weight 389.07 g/mol. IUPAC: 13,14-dimethyl-8-phenylsulfanyl-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-399/40654057
Property Insights of AF-399/40654057
The XLogP value of 5.22544 indicates that AF-399/40654057 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-399/40654057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40654057 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-399/40654057?
The CAS number of AF-399/40654057 is 379244-75-4.
What is the molecular formula of AF-399/40654057?
The molecular formula of AF-399/40654057 is C21H15N3OS2.
What is the molecular weight of AF-399/40654057?
The molecular weight of AF-399/40654057 is 389.07 g/mol.
Where can I buy AF-399/40654057?
You can request a quote for AF-399/40654057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654057?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.