BIM-0017889.P001
TL;DR: BIM-0017889.P001 (CAS 312952-04-8) is a chemical compound with molecular formula C21H22FNO5S and molecular weight 419.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
Also Known As: BIM-0017889.P001, 2-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid, 2-{[3-(ethoxycarbonyl)-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid, 2-((3-(ethoxycarbonyl)-4-(4-fluorophenyl)thiophen-2-yl)carbamoyl)cyclohexanecarboxylic acid, 2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
| Molecular Formula | C21H22FNO5S |
|---|---|
| Molecular Weight | 419.12 g/mol |
| LogP | 4.5604 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.12027 |
| Heavy Atoms | 29 |
| Complexity | 908.2953 |
Chemical Identifiers
| CAS Number | 312952-04-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3CCCCC3C(=O)O |
Product Overview
BIM-0017889.P001 (CAS 312952-04-8), with molecular formula C21H22FNO5S and molecular weight 419.12 g/mol. IUPAC: 2-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of BIM-0017889.P001
Property Insights of BIM-0017889.P001
The XLogP value of 4.5604 indicates that BIM-0017889.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-0017889.P001. Following Lipinski's Rule of Five, BIM-0017889.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-0017889.P001?
The CAS number of BIM-0017889.P001 is 312952-04-8.
What is the molecular formula of BIM-0017889.P001?
The molecular formula of BIM-0017889.P001 is C21H22FNO5S.
What is the molecular weight of BIM-0017889.P001?
The molecular weight of BIM-0017889.P001 is 419.12 g/mol.
Where can I buy BIM-0017889.P001?
You can request a quote for BIM-0017889.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0017889.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0017889.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.