AF-399/40851268
TL;DR: AF-399/40851268 (CAS 496022-29-8) is a chemical compound with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-chlorophenyl)-8-(4-ethylpiperazin-1-yl)-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-399/40851268, 13-(4-chlorophenyl)-8-(4-ethylpiperazin-1-yl)-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, 9-(4-chlorophenyl)-5-(4-ethyl-1-piperazinyl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one, 9-(4-chlorophenyl)-5-(4-ethylpiperazinyl)-7-hydrophthalazino[2,1-a]thiopheno[2 ,3-d]pyrimidin-8-one
| Molecular Formula | C25H22ClN5OS |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 4.9197 |
| Topological Polar Surface Area | 53.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.12335 |
| Heavy Atoms | 33 |
| Complexity | 1551.2769 |
Chemical Identifiers
| CAS Number | 496022-29-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NN3C(=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl)C6=CC=CC=C62 |
Product Overview
AF-399/40851268 (CAS 496022-29-8), with molecular formula C25H22ClN5OS and molecular weight 475.12 g/mol. IUPAC: 13-(4-chlorophenyl)-8-(4-ethylpiperazin-1-yl)-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-399/40851268
Property Insights of AF-399/40851268
The XLogP value of 4.9197 indicates that AF-399/40851268 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.74 Ų, AF-399/40851268 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40851268 has 0 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-399/40851268?
The CAS number of AF-399/40851268 is 496022-29-8.
What is the molecular formula of AF-399/40851268?
The molecular formula of AF-399/40851268 is C25H22ClN5OS.
What is the molecular weight of AF-399/40851268?
The molecular weight of AF-399/40851268 is 475.12 g/mol.
Where can I buy AF-399/40851268?
You can request a quote for AF-399/40851268 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851268?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851268 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.