![methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/5544/554408-59-2.webp)
methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 554408-59-2) is a chemical compound with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C12H14ClNO3S |
|---|---|
| Molecular Weight | 287.04 g/mol |
| LogP | 2.5908 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.0383 |
| Heavy Atoms | 18 |
| Complexity | 483.91223 |
Chemical Identifiers
| CAS Number | 554408-59-2 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NCC(=O)Cl |
Product Overview
methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 554408-59-2), with molecular formula C12H14ClNO3S and molecular weight 287.04 g/mol. IUPAC: methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 2.5908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 554408-59-2.
What is the molecular formula of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C12H14ClNO3S.
What is the molecular weight of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 287.04 g/mol.
Where can I buy methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[(2-chloro-2-oxoethyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.