BIM-0046439.P001
TL;DR: BIM-0046439.P001 (CAS 353479-18-2) is a chemical compound with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BIM-0046439.P001, methyl 2-{[(5-bromofuran-2-yl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(5-bromo-2-furoyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C17H18BrNO4S |
|---|---|
| Molecular Weight | 411.01 g/mol |
| LogP | 4.6574 |
| Topological Polar Surface Area | 68.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.01398 |
| Heavy Atoms | 24 |
| Complexity | 779.6477 |
Chemical Identifiers
| CAS Number | 353479-18-2 |
|---|---|
| SMILES | CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3=CC=C(O3)Br |
Product Overview
BIM-0046439.P001 (CAS 353479-18-2), with molecular formula C17H18BrNO4S and molecular weight 411.01 g/mol. IUPAC: methyl 2-[(5-bromofuran-2-carbonyl)amino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BIM-0046439.P001
Property Insights of BIM-0046439.P001
The XLogP value of 4.6574 indicates that BIM-0046439.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046439.P001. Following Lipinski's Rule of Five, BIM-0046439.P001 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 BIM-0046439.P001?
The CAS number of BIM-0046439.P001 is 353479-18-2.
What is the molecular formula of BIM-0046439.P001?
The molecular formula of BIM-0046439.P001 is C17H18BrNO4S.
What is the molecular weight of BIM-0046439.P001?
The molecular weight of BIM-0046439.P001 is 411.01 g/mol.
Where can I buy BIM-0046439.P001?
You can request a quote for BIM-0046439.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046439.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046439.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.