AF-399/15031052
TL;DR: AF-399/15031052 (CAS 314261-03-5) is a chemical compound with molecular formula C25H23N3O3S3 and molecular weight 509.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
Also Known As: AF-399/15031052, F0863-0638, ethyl 4-(4-methylphenyl)-2-(2-{7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl}acetamido)thiophene-3-carboxylate, ethyl 2-(2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-4-(p-tolyl)thiophene-3-carboxylate, Ethyl 4-(4-methylphenyl)-2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate
| Molecular Formula | C25H23N3O3S3 |
|---|---|
| Molecular Weight | 509.09 g/mol |
| LogP | 6.12442 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 509.09015 |
| Heavy Atoms | 34 |
| Complexity | 1375.5677 |
Chemical Identifiers
| CAS Number | 314261-03-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5 |
Product Overview
AF-399/15031052 (CAS 314261-03-5), with molecular formula C25H23N3O3S3 and molecular weight 509.09 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2-[[2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15031052
Property Insights of AF-399/15031052
The XLogP value of 6.12442 indicates that AF-399/15031052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15031052. Following Lipinski's Rule of Five, AF-399/15031052 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15031052?
The CAS number of AF-399/15031052 is 314261-03-5.
What is the molecular formula of AF-399/15031052?
The molecular formula of AF-399/15031052 is C25H23N3O3S3.
What is the molecular weight of AF-399/15031052?
The molecular weight of AF-399/15031052 is 509.09 g/mol.
Where can I buy AF-399/15031052?
You can request a quote for AF-399/15031052 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15031052?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15031052 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.