AF-399/41945535
TL;DR: AF-399/41945535 (CAS 500202-82-4) is a chemical compound with molecular formula C21H21N3O5S2 and molecular weight 459.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AF-399/41945535, F0594-0119, F1440-0045, ETHYL 2-(2-{[5-(4-METHOXYPHENYL)-1,3,4-OXADIAZOL-2-YL]SULFANYL}ACETAMIDO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C21H21N3O5S2 |
|---|---|
| Molecular Weight | 459.09 g/mol |
| LogP | 4.2029 |
| Topological Polar Surface Area | 103.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.09225 |
| Heavy Atoms | 31 |
| Complexity | 1091.1329 |
Chemical Identifiers
| CAS Number | 500202-82-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC |
Product Overview
AF-399/41945535 (CAS 500202-82-4), with molecular formula C21H21N3O5S2 and molecular weight 459.09 g/mol. IUPAC: ethyl 2-[[2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/41945535
Property Insights of AF-399/41945535
The XLogP value of 4.2029 indicates that AF-399/41945535 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41945535. Following Lipinski's Rule of Five, AF-399/41945535 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/41945535?
The CAS number of AF-399/41945535 is 500202-82-4.
What is the molecular formula of AF-399/41945535?
The molecular formula of AF-399/41945535 is C21H21N3O5S2.
What is the molecular weight of AF-399/41945535?
The molecular weight of AF-399/41945535 is 459.09 g/mol.
Where can I buy AF-399/41945535?
You can request a quote for AF-399/41945535 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41945535?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41945535 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.