AF-399/41219669
TL;DR: AF-399/41219669 (CAS 488716-52-5) is a chemical compound with molecular formula C19H15ClN4O4S3 and molecular weight 493.99 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-methyl-1,3-thiazole-5-carboxylate
Also Known As: AF-399/41219669, ethyl 2-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate, ethyl (2Z)-2-[({[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)imino]-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate, ethyl 2-(2-((5-(3-chlorobenzo[b]thiophen-2-yl)-1,3,4-oxadiazol-2-yl)thio)acetamido)-4-methylthiazole-5-carboxylate, ETHYL 2-(2-{[5-(3-CHLORO-1-BENZOTHIOPHEN-2-YL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE
| Molecular Formula | C19H15ClN4O4S3 |
|---|---|
| Molecular Weight | 493.99 g/mol |
| LogP | 5.27712 |
| Topological Polar Surface Area | 107.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.9944 |
| Heavy Atoms | 31 |
| Complexity | 1266.3048 |
Chemical Identifiers
| CAS Number | 488716-52-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NN=C(O2)C3=C(C4=CC=CC=C4S3)Cl)C |
Product Overview
AF-399/41219669 (CAS 488716-52-5), with molecular formula C19H15ClN4O4S3 and molecular weight 493.99 g/mol. IUPAC: ethyl 2-[[2-[[5-(3-chloro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of AF-399/41219669
Property Insights of AF-399/41219669
The XLogP value of 5.27712 indicates that AF-399/41219669 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.21 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41219669. Following Lipinski's Rule of Five, AF-399/41219669 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41219669?
The CAS number of AF-399/41219669 is 488716-52-5.
What is the molecular formula of AF-399/41219669?
The molecular formula of AF-399/41219669 is C19H15ClN4O4S3.
What is the molecular weight of AF-399/41219669?
The molecular weight of AF-399/41219669 is 493.99 g/mol.
Where can I buy AF-399/41219669?
You can request a quote for AF-399/41219669 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41219669?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41219669 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.