METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
TL;DR: METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 302950-23-8) is a chemical compound with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(3-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, F3095-3299, methyl 2-[(3-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(3-bromobenzamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, methyl 2-[(3-bromobenzene)amido]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C18H18BrNO3S |
|---|---|
| Molecular Weight | 407.02 g/mol |
| LogP | 4.6743 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.01907 |
| Heavy Atoms | 24 |
| Complexity | 799.5567 |
Chemical Identifiers
| CAS Number | 302950-23-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC(=CC=C3)Br |
Product Overview
METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 302950-23-8), with molecular formula C18H18BrNO3S and molecular weight 407.02 g/mol. IUPAC: methyl 2-[(3-bromobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
Property Insights of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
The XLogP value of 4.6743 indicates that METHYL 2-(3-BROMOBENZAMIDO)-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-(3-BROMOBENZAMIDO)-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-(3-BROMOBENZAMIDO)-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-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The CAS number of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 302950-23-8.
What is the molecular formula of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular formula of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is C18H18BrNO3S.
What is the molecular weight of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular weight of METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 407.02 g/mol.
Where can I buy METHYL 2-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
You can request a quote for METHYL 2-(3-BROMOBENZAMIDO)-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-(3-BROMOBENZAMIDO)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for METHYL 2-(3-BROMOBENZAMIDO)-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.