AF-399/15128586
TL;DR: AF-399/15128586 (CAS 315693-85-7) is a chemical compound with molecular formula C25H23N3O4S3 and molecular weight 525.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methoxyphenyl)-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-399/15128586, ethyl 2-(2-((6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate, F0863-0493, Ethyl 2-[[2-[(6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylate, Ethyl 4-(4-methoxyphenyl)-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 | C25H23N3O4S3 |
|---|---|
| Molecular Weight | 525.09 g/mol |
| LogP | 5.8246 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 525.0851 |
| Heavy Atoms | 35 |
| Complexity | 1395.2252 |
Chemical Identifiers
| CAS Number | 315693-85-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC=NC4=C3C5=C(S4)CCC5 |
Product Overview
AF-399/15128586 (CAS 315693-85-7), with molecular formula C25H23N3O4S3 and molecular weight 525.09 g/mol. IUPAC: ethyl 4-(4-methoxyphenyl)-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-399/15128586
Property Insights of AF-399/15128586
The XLogP value of 5.8246 indicates that AF-399/15128586 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15128586. Following Lipinski's Rule of Five, AF-399/15128586 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/15128586?
The CAS number of AF-399/15128586 is 315693-85-7.
What is the molecular formula of AF-399/15128586?
The molecular formula of AF-399/15128586 is C25H23N3O4S3.
What is the molecular weight of AF-399/15128586?
The molecular weight of AF-399/15128586 is 525.09 g/mol.
Where can I buy AF-399/15128586?
You can request a quote for AF-399/15128586 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15128586?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15128586 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.