BIM-0017081.P001
TL;DR: BIM-0017081.P001 (CAS 345950-98-3) is a chemical compound with molecular formula C19H23NO5S and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: BIM-0017081.P001, benzo[b]thiophene-3-carboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4,5,6,7-tetrahydro-6-methyl-, 3-methyl ester, 6-([[3-(METHOXYCARBONYL)-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID, 6-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid, 6-{[3-(methoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
| Molecular Formula | C19H23NO5S |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.265 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.1297 |
| Heavy Atoms | 26 |
| Complexity | 766.2242 |
Chemical Identifiers
| CAS Number | 345950-98-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
BIM-0017081.P001 (CAS 345950-98-3), with molecular formula C19H23NO5S and molecular weight 377.13 g/mol. IUPAC: 6-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of BIM-0017081.P001
Property Insights of BIM-0017081.P001
The XLogP value of 3.265 indicates that BIM-0017081.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0017081.P001. Following Lipinski's Rule of Five, BIM-0017081.P001 has 2 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-0017081.P001?
The CAS number of BIM-0017081.P001 is 345950-98-3.
What is the molecular formula of BIM-0017081.P001?
The molecular formula of BIM-0017081.P001 is C19H23NO5S.
What is the molecular weight of BIM-0017081.P001?
The molecular weight of BIM-0017081.P001 is 377.13 g/mol.
Where can I buy BIM-0017081.P001?
You can request a quote for BIM-0017081.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017081.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017081.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.