BAS 00676150
TL;DR: BAS 00676150 (CAS 328023-54-7) is a chemical compound with molecular formula C17H16BrNO3S and molecular weight 393.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00676150, methyl 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, AB00087756-01, methyl 2-{[(2-bromophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-(2-bromobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H16BrNO3S |
|---|---|
| Molecular Weight | 393.00 g/mol |
| LogP | 4.4283 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.00342 |
| Heavy Atoms | 23 |
| Complexity | 769.19415 |
Chemical Identifiers
| CAS Number | 328023-54-7 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3Br |
Product Overview
BAS 00676150 (CAS 328023-54-7), with molecular formula C17H16BrNO3S and molecular weight 393.00 g/mol. IUPAC: methyl 2-[(2-bromobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00676150
Property Insights of BAS 00676150
The XLogP value of 4.4283 indicates that BAS 00676150 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00676150 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00676150 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 BAS 00676150?
The CAS number of BAS 00676150 is 328023-54-7.
What is the molecular formula of BAS 00676150?
The molecular formula of BAS 00676150 is C17H16BrNO3S.
What is the molecular weight of BAS 00676150?
The molecular weight of BAS 00676150 is 393.00 g/mol.
Where can I buy BAS 00676150?
You can request a quote for BAS 00676150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00676150?
Yes, KEHONG BIO provides custom synthesis services for BAS 00676150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.