BIM-0045504.P001
TL;DR: BIM-0045504.P001 (CAS 357932-83-3) is a chemical compound with molecular formula C24H31NO5S and molecular weight 445.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BIM-0045504.P001, 3-((6-(tert-butyl)-3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-({[6-(tert-butyl)-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[6-tert-butyl-3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, benzo[b]thiophene-3-carboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-5-en-2-yl)carbonyl]amino]-6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-, 3-ethyl ester
| Molecular Formula | C24H31NO5S |
|---|---|
| Molecular Weight | 445.19 g/mol |
| LogP | 4.5372 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.1923 |
| Heavy Atoms | 31 |
| Complexity | 940.50146 |
Chemical Identifiers
| CAS Number | 357932-83-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C(C)(C)C)NC(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
BIM-0045504.P001 (CAS 357932-83-3), with molecular formula C24H31NO5S and molecular weight 445.19 g/mol. IUPAC: 3-[(6-tert-butyl-3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of BIM-0045504.P001
Property Insights of BIM-0045504.P001
The XLogP value of 4.5372 indicates that BIM-0045504.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-0045504.P001. Following Lipinski's Rule of Five, BIM-0045504.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-0045504.P001?
The CAS number of BIM-0045504.P001 is 357932-83-3.
What is the molecular formula of BIM-0045504.P001?
The molecular formula of BIM-0045504.P001 is C24H31NO5S.
What is the molecular weight of BIM-0045504.P001?
The molecular weight of BIM-0045504.P001 is 445.19 g/mol.
Where can I buy BIM-0045504.P001?
You can request a quote for BIM-0045504.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0045504.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0045504.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.