AF-399/40851275
TL;DR: AF-399/40851275 (CAS 496022-25-4) is a chemical compound with molecular formula C26H24ClN5O2S and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(4-chlorophenyl)-8-(3-morpholin-4-ylpropylamino)-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-399/40851275, 13-(4-chlorophenyl)-8-{[3-(morpholin-4-yl)propyl]amino}-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-[(3-morpholin-4-ylpropyl)amino]-7-hydrophthalazino[2,1-a] thiopheno[2,3-d]pyrimidin-8-one, 9-(4-chlorophenyl)-5-{[3-(4-morpholinyl)propyl]amino}-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one
| Molecular Formula | C26H24ClN5O2S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 4.912 |
| Topological Polar Surface Area | 71.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.1339 |
| Heavy Atoms | 35 |
| Complexity | 1574.8967 |
Chemical Identifiers
| CAS Number | 496022-25-4 |
|---|---|
| SMILES | C1COCCN1CCCNC2=NN3C(=NC4=C(C3=O)C(=CS4)C5=CC=C(C=C5)Cl)C6=CC=CC=C62 |
Product Overview
AF-399/40851275 (CAS 496022-25-4), with molecular formula C26H24ClN5O2S and molecular weight 505.13 g/mol. IUPAC: 13-(4-chlorophenyl)-8-(3-morpholin-4-ylpropylamino)-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-399/40851275
Property Insights of AF-399/40851275
The XLogP value of 4.912 indicates that AF-399/40851275 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40851275. Following Lipinski's Rule of Five, AF-399/40851275 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40851275?
The CAS number of AF-399/40851275 is 496022-25-4.
What is the molecular formula of AF-399/40851275?
The molecular formula of AF-399/40851275 is C26H24ClN5O2S.
What is the molecular weight of AF-399/40851275?
The molecular weight of AF-399/40851275 is 505.13 g/mol.
Where can I buy AF-399/40851275?
You can request a quote for AF-399/40851275 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851275?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851275 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.