AL-281/15562114
TL;DR: AL-281/15562114 (CAS 473574-19-5) is a chemical compound with molecular formula C21H25NO5S and molecular weight 403.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
Also Known As: AL-281/15562114, 3-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 2-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-3-carboxylic acid, 3-((3-(ethoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)bicyclo[2.2.2]oct-5-ene-2-carboxylic acid, 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
| Molecular Formula | C21H25NO5S |
|---|---|
| Molecular Weight | 403.15 g/mol |
| LogP | 3.6551 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.14536 |
| Heavy Atoms | 28 |
| Complexity | 842.0941 |
Chemical Identifiers
| CAS Number | 473574-19-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3C4CCC(C3C(=O)O)C=C4 |
Product Overview
AL-281/15562114 (CAS 473574-19-5), with molecular formula C21H25NO5S and molecular weight 403.15 g/mol. IUPAC: 3-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid.
Chemical Property Profile of AL-281/15562114
Property Insights of AL-281/15562114
The XLogP value of 3.6551 indicates that AL-281/15562114 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 AL-281/15562114. Following Lipinski's Rule of Five, AL-281/15562114 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 AL-281/15562114?
The CAS number of AL-281/15562114 is 473574-19-5.
What is the molecular formula of AL-281/15562114?
The molecular formula of AL-281/15562114 is C21H25NO5S.
What is the molecular weight of AL-281/15562114?
The molecular weight of AL-281/15562114 is 403.15 g/mol.
Where can I buy AL-281/15562114?
You can request a quote for AL-281/15562114 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AL-281/15562114?
Yes, KEHONG BIO provides custom synthesis services for AL-281/15562114 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.