AF-399/40654036
TL;DR: AF-399/40654036 (CAS 379244-44-7) is a chemical compound with molecular formula C24H19N3OS and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-20-phenyl-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one
Also Known As: AF-399/40654036, 11-methyl-5-phenyl-9,10,11,12-tetrahydro-8H-[1]benzothieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 11-methyl-5-phenyl-7,9,10,11,12-pentahydrobenzo[b]thiopheno[2,3-d]phthalazino[ 2,1-a]pyrimidin-8-one, 11-methyl-5-phenyl-9,10,11,12-tetrahydro-8H-benzo[4',5']thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 7-methyl-20-phenyl-10-thia-1,12,21-triazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,19}]henicosa-3(11),4(9),12,14(19),15,17,20-heptaen-2-one
| Molecular Formula | C24H19N3OS |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 5.2492 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 397.12488 |
| Heavy Atoms | 29 |
| Complexity | 1466.5996 |
Chemical Identifiers
| CAS Number | 379244-44-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N4C(=N3)C5=CC=CC=C5C(=N4)C6=CC=CC=C6 |
Product Overview
AF-399/40654036 (CAS 379244-44-7), with molecular formula C24H19N3OS and molecular weight 397.12 g/mol. IUPAC: 7-methyl-20-phenyl-10-thia-1,12,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-3(11),4(9),12,14,16,18,20-heptaen-2-one.
Chemical Property Profile of AF-399/40654036
Property Insights of AF-399/40654036
The XLogP value of 5.2492 indicates that AF-399/40654036 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-399/40654036 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40654036 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40654036?
The CAS number of AF-399/40654036 is 379244-44-7.
What is the molecular formula of AF-399/40654036?
The molecular formula of AF-399/40654036 is C24H19N3OS.
What is the molecular weight of AF-399/40654036?
The molecular weight of AF-399/40654036 is 397.12 g/mol.
Where can I buy AF-399/40654036?
You can request a quote for AF-399/40654036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654036?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.