![methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate structure](/static/products/4449/444905-39-9.webp)
methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
TL;DR: methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 444905-39-9) is a chemical compound with molecular formula C16H19Cl2NO3S and molecular weight 375.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(2,2-dichloro-1-methylcyclopropyl)carbonylamino]-6-methyl-4,5,6,7-te trahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C16H19Cl2NO3S |
|---|---|
| Molecular Weight | 375.05 g/mol |
| LogP | 4.1819 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 375.04626 |
| Heavy Atoms | 23 |
| Complexity | 685.11035 |
Chemical Identifiers
| CAS Number | 444905-39-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3(CC3(Cl)Cl)C |
Product Overview
methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CAS 444905-39-9), with molecular formula C16H19Cl2NO3S and molecular weight 375.05 g/mol. IUPAC: methyl 2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Property Insights of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
The XLogP value of 4.1819 indicates that methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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, methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-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-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-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 methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The CAS number of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 444905-39-9.
What is the molecular formula of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular formula of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is C16H19Cl2NO3S.
What is the molecular weight of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
The molecular weight of methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is 375.05 g/mol.
Where can I buy methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
You can request a quote for methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-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-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-{[(2,2-dichloro-1-methylcyclopropyl)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.