BIM-0046697.P001
TL;DR: BIM-0046697.P001 (CAS 351000-41-4) is a chemical compound with molecular formula C22H23NO6S and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: BIM-0046697.P001, 3-thiophenecarboxylic acid, 2-[[(6-carboxy-3-cyclohexen-1-yl)carbonyl]amino]-4-(4-methoxyphenyl)-, 3-ethyl ester, 6-({[3-(ethoxycarbonyl)-4-(4-methoxyphenyl)-2-thienyl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid, 6-{[3-(ethoxycarbonyl)-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid, 6-([[3-(ETHOXYCARBONYL)-4-(4-METHOXYPHENYL)-2-THIENYL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID
| Molecular Formula | C22H23NO6S |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.2059 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.1246 |
| Heavy Atoms | 30 |
| Complexity | 962.50745 |
Chemical Identifiers
| CAS Number | 351000-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)C3CC=CCC3C(=O)O |
Product Overview
BIM-0046697.P001 (CAS 351000-41-4), with molecular formula C22H23NO6S and molecular weight 429.12 g/mol. IUPAC: 6-[[3-ethoxycarbonyl-4-(4-methoxyphenyl)thiophen-2-yl]carbamoyl]cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of BIM-0046697.P001
Property Insights of BIM-0046697.P001
The XLogP value of 4.2059 indicates that BIM-0046697.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046697.P001. Following Lipinski's Rule of Five, BIM-0046697.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-0046697.P001?
The CAS number of BIM-0046697.P001 is 351000-41-4.
What is the molecular formula of BIM-0046697.P001?
The molecular formula of BIM-0046697.P001 is C22H23NO6S.
What is the molecular weight of BIM-0046697.P001?
The molecular weight of BIM-0046697.P001 is 429.12 g/mol.
Where can I buy BIM-0046697.P001?
You can request a quote for BIM-0046697.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046697.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046697.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.