AF-399/41370777
TL;DR: AF-399/41370777 (CAS 487038-53-9) is a chemical compound with molecular formula C21H18ClN3O4S3 and molecular weight 507.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Also Known As: AF-399/41370777, ethyl 2-[({[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-(2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[({[5-(3-chloro-1-benzothien-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]-4,5-dimethylthiophene-3-carboxylate, ethyl 2-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
| Molecular Formula | C21H18ClN3O4S3 |
|---|---|
| Molecular Weight | 507.01 g/mol |
| LogP | 6.19054 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 507.0148 |
| Heavy Atoms | 32 |
| Complexity | 1311.097 |
Chemical Identifiers
| CAS Number | 487038-53-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AF-399/41370777 (CAS 487038-53-9), with molecular formula C21H18ClN3O4S3 and molecular weight 507.01 g/mol. IUPAC: ethyl 2-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/41370777
Property Insights of AF-399/41370777
The XLogP value of 6.19054 indicates that AF-399/41370777 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41370777. Following Lipinski's Rule of Five, AF-399/41370777 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-399/41370777?
The CAS number of AF-399/41370777 is 487038-53-9.
What is the molecular formula of AF-399/41370777?
The molecular formula of AF-399/41370777 is C21H18ClN3O4S3.
What is the molecular weight of AF-399/41370777?
The molecular weight of AF-399/41370777 is 507.01 g/mol.
Where can I buy AF-399/41370777?
You can request a quote for AF-399/41370777 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41370777?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41370777 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.