![ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/3156/315694-92-9.webp)
ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 315694-92-9) is a chemical compound with molecular formula C15H20ClNO3S and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-chloropropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(3-chloropropanoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, UPCMLD0ENAT0513-9329:001, benzo[b]thiophene-3-carboxylic acid, 2-[(3-chloro-1-oxopropyl)amino]-4,5,6,7-tetrahydro-6-methyl-, ethyl ester, ethyl 2-(3-chloropropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C15H20ClNO3S |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 3.617 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 329.08524 |
| Heavy Atoms | 21 |
| Complexity | 541.2662 |
Chemical Identifiers
| CAS Number | 315694-92-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)CCCl |
Product Overview
ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 315694-92-9), with molecular formula C15H20ClNO3S and molecular weight 329.09 g/mol. IUPAC: ethyl 2-(3-chloropropanoylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 3.617 indicates that ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 315694-92-9.
What is the molecular formula of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C15H20ClNO3S.
What is the molecular weight of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 329.09 g/mol.
Where can I buy ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(3-chloropropanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.