BIM-0015961.P001
TL;DR: BIM-0015961.P001 (CAS 6131-37-9) is a chemical compound with molecular formula C19H23NO6S and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Also Known As: BIM-0015961.P001, 3-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 3-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid, 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid, 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
| Molecular Formula | C19H23NO6S |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | 2.6203 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 393.1246 |
| Heavy Atoms | 27 |
| Complexity | 787.40796 |
Chemical Identifiers
| CAS Number | 6131-37-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)O4 |
Product Overview
BIM-0015961.P001 (CAS 6131-37-9), with molecular formula C19H23NO6S and molecular weight 393.12 g/mol. IUPAC: 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
Chemical Property Profile of BIM-0015961.P001
Property Insights of BIM-0015961.P001
The XLogP value of 2.6203 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0015961.P001. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0015961.P001. Following Lipinski's Rule of Five, BIM-0015961.P001 has 2 hydrogen bond donor(s) and 6 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-0015961.P001?
The CAS number of BIM-0015961.P001 is 6131-37-9.
What is the molecular formula of BIM-0015961.P001?
The molecular formula of BIM-0015961.P001 is C19H23NO6S.
What is the molecular weight of BIM-0015961.P001?
The molecular weight of BIM-0015961.P001 is 393.12 g/mol.
Where can I buy BIM-0015961.P001?
You can request a quote for BIM-0015961.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0015961.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0015961.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.