AB00100417-01
TL;DR: AB00100417-01 (CAS 330465-61-7) is a chemical compound with molecular formula C15H17N3O3S3 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: AB00100417-01, A1978/0083208, ethyl 2-({[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-(5-methyl-1,3,4-thiadiazol-2-ylthio)acetylamino]-4,5,6-trihydrocycl openta[2,1-b]thiophene-3-carboxylate
| Molecular Formula | C15H17N3O3S3 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 3.30422 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.0432 |
| Heavy Atoms | 24 |
| Complexity | 769.3476 |
Chemical Identifiers
| CAS Number | 330465-61-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NN=C(S3)C |
Product Overview
AB00100417-01 (CAS 330465-61-7), with molecular formula C15H17N3O3S3 and molecular weight 383.04 g/mol. IUPAC: ethyl 2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of AB00100417-01
Property Insights of AB00100417-01
The XLogP value of 3.30422 indicates that AB00100417-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00100417-01. Following Lipinski's Rule of Five, AB00100417-01 has 1 hydrogen bond donor(s) and 8 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 AB00100417-01?
The CAS number of AB00100417-01 is 330465-61-7.
What is the molecular formula of AB00100417-01?
The molecular formula of AB00100417-01 is C15H17N3O3S3.
What is the molecular weight of AB00100417-01?
The molecular weight of AB00100417-01 is 383.04 g/mol.
Where can I buy AB00100417-01?
You can request a quote for AB00100417-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00100417-01?
Yes, KEHONG BIO provides custom synthesis services for AB00100417-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.