AF-399/15335213
TL;DR: AF-399/15335213 (CAS 315711-41-2) is a chemical compound with molecular formula C24H23N3O4S3 and molecular weight 513.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
Also Known As: AF-399/15335213, ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate, F1174-1929, ETHYL 2-[2-({5,6-DIMETHYLTHIENO[2,3-D]PYRIMIDIN-4-YL}SULFANYL)ACETAMIDO]-4-(4-METHOXYPHENYL)THIOPHENE-3-CARBOXYLATE, ethyl 2-(2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)acetamido)-4-(4-methoxyphenyl)thiophene-3-carboxylate
| Molecular Formula | C24H23N3O4S3 |
|---|---|
| Molecular Weight | 513.09 g/mol |
| LogP | 5.95274 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.0851 |
| Heavy Atoms | 34 |
| Complexity | 1345.7592 |
Chemical Identifiers
| CAS Number | 315711-41-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CSC3=NC=NC4=C3C(=C(S4)C)C |
Product Overview
AF-399/15335213 (CAS 315711-41-2), with molecular formula C24H23N3O4S3 and molecular weight 513.09 g/mol. IUPAC: ethyl 2-[[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate.
Chemical Property Profile of AF-399/15335213
Property Insights of AF-399/15335213
The XLogP value of 5.95274 indicates that AF-399/15335213 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-399/15335213. Following Lipinski's Rule of Five, AF-399/15335213 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-399/15335213?
The CAS number of AF-399/15335213 is 315711-41-2.
What is the molecular formula of AF-399/15335213?
The molecular formula of AF-399/15335213 is C24H23N3O4S3.
What is the molecular weight of AF-399/15335213?
The molecular weight of AF-399/15335213 is 513.09 g/mol.
Where can I buy AF-399/15335213?
You can request a quote for AF-399/15335213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15335213?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15335213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.