AF-399/41182137
TL;DR: AF-399/41182137 (CAS 438481-41-5) is a chemical compound with molecular formula C21H16ClN3O4S2 and molecular weight 473.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: AF-399/41182137, ethyl 4-[({[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-(2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)benzoate, ethyl 4-[({[5-(3-chloro-1-benzothien-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C21H16ClN3O4S2 |
|---|---|
| Molecular Weight | 473.03 g/mol |
| LogP | 5.5122 |
| Topological Polar Surface Area | 94.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.02707 |
| Heavy Atoms | 31 |
| Complexity | 1237.1473 |
Chemical Identifiers
| CAS Number | 438481-41-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
AF-399/41182137 (CAS 438481-41-5), with molecular formula C21H16ClN3O4S2 and molecular weight 473.03 g/mol. IUPAC: ethyl 4-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of AF-399/41182137
Property Insights of AF-399/41182137
The XLogP value of 5.5122 indicates that AF-399/41182137 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-399/41182137. Following Lipinski's Rule of Five, AF-399/41182137 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-399/41182137?
The CAS number of AF-399/41182137 is 438481-41-5.
What is the molecular formula of AF-399/41182137?
The molecular formula of AF-399/41182137 is C21H16ClN3O4S2.
What is the molecular weight of AF-399/41182137?
The molecular weight of AF-399/41182137 is 473.03 g/mol.
Where can I buy AF-399/41182137?
You can request a quote for AF-399/41182137 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41182137?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41182137 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.