AF-399/40654038
TL;DR: AF-399/40654038 (CAS 379244-47-0) is a chemical compound with molecular formula C22H17N3OS and molecular weight 371.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,14-dimethyl-8-(4-methylphenyl)-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-399/40654038, 9,10-dimethyl-5-(4-methylphenyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 9,10-dimethyl-5-(p-tolyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 13,14-dimethyl-8-(4-methylphenyl)-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-(4-methylphenyl)-7-hydrophthalazino[2,1-a]thiopheno[2,3-d]pyri midin-8-one
| Molecular Formula | C22H17N3OS |
|---|---|
| Molecular Weight | 371.11 g/mol |
| LogP | 5.04966 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.10922 |
| Heavy Atoms | 27 |
| Complexity | 1411.7769 |
Chemical Identifiers
| CAS Number | 379244-47-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN3C(=NC4=C(C3=O)C(=C(S4)C)C)C5=CC=CC=C52 |
Product Overview
AF-399/40654038 (CAS 379244-47-0), with molecular formula C22H17N3OS and molecular weight 371.11 g/mol. IUPAC: 13,14-dimethyl-8-(4-methylphenyl)-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-399/40654038
Property Insights of AF-399/40654038
The XLogP value of 5.04966 indicates that AF-399/40654038 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-399/40654038 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40654038 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-399/40654038?
The CAS number of AF-399/40654038 is 379244-47-0.
What is the molecular formula of AF-399/40654038?
The molecular formula of AF-399/40654038 is C22H17N3OS.
What is the molecular weight of AF-399/40654038?
The molecular weight of AF-399/40654038 is 371.11 g/mol.
Where can I buy AF-399/40654038?
You can request a quote for AF-399/40654038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40654038?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40654038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.