ChemDiv1_011007
TL;DR: ChemDiv1_011007 (CAS 330555-46-9) is a chemical compound with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: ChemDiv1_011007, Ethyl 2-(2-((1H-benzo[d]imidazol-2-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-[2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, ethyl 2-{[(1H-benzimidazol-2-ylsulfanyl)acetyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C19H19N3O3S2 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 4.0206 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.0868 |
| Heavy Atoms | 27 |
| Complexity | 975.9664 |
Chemical Identifiers
| CAS Number | 330555-46-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)CSC3=NC4=CC=CC=C4N3 |
Product Overview
ChemDiv1_011007 (CAS 330555-46-9), with molecular formula C19H19N3O3S2 and molecular weight 401.09 g/mol. IUPAC: ethyl 2-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
Chemical Property Profile of ChemDiv1_011007
Property Insights of ChemDiv1_011007
The XLogP value of 4.0206 indicates that ChemDiv1_011007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011007. Following Lipinski's Rule of Five, ChemDiv1_011007 has 2 hydrogen bond donor(s) and 6 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 ChemDiv1_011007?
The CAS number of ChemDiv1_011007 is 330555-46-9.
What is the molecular formula of ChemDiv1_011007?
The molecular formula of ChemDiv1_011007 is C19H19N3O3S2.
What is the molecular weight of ChemDiv1_011007?
The molecular weight of ChemDiv1_011007 is 401.09 g/mol.
Where can I buy ChemDiv1_011007?
You can request a quote for ChemDiv1_011007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011007?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.