BAS 04055056
TL;DR: BAS 04055056 (CAS 470472-73-2) is a chemical compound with molecular formula C18H21NO5S and molecular weight 363.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 04055056, BIM-0028805.P001, 2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-thiophenecarboxylic acid, 2-[[(3-carboxybicyclo[2.2.1]hept-5-en-2-yl)carbonyl]amino]-4,5-dimethyl-, 3-ethyl ester, 3-([[3-(ETHOXYCARBONYL)-4,5-DIMETHYL-2-THIENYL]AMINO]CARBONYL)BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C18H21NO5S |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 3.00304 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.11404 |
| Heavy Atoms | 25 |
| Complexity | 765.7611 |
Chemical Identifiers
| CAS Number | 470472-73-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2C3CC(C2C(=O)O)C=C3 |
Product Overview
BAS 04055056 (CAS 470472-73-2), with molecular formula C18H21NO5S and molecular weight 363.11 g/mol. IUPAC: 3-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of BAS 04055056
Property Insights of BAS 04055056
The XLogP value of 3.00304 indicates that BAS 04055056 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 BAS 04055056. Following Lipinski's Rule of Five, BAS 04055056 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 BAS 04055056?
The CAS number of BAS 04055056 is 470472-73-2.
What is the molecular formula of BAS 04055056?
The molecular formula of BAS 04055056 is C18H21NO5S.
What is the molecular weight of BAS 04055056?
The molecular weight of BAS 04055056 is 363.11 g/mol.
Where can I buy BAS 04055056?
You can request a quote for BAS 04055056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04055056?
Yes, KEHONG BIO provides custom synthesis services for BAS 04055056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.