BAS 00915555
TL;DR: BAS 00915555 (CAS 321532-29-0) is a chemical compound with molecular formula C22H25ClN2O4S and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(azepane-1-carbonyl)-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
Also Known As: BAS 00915555, AB00097129-01, ethyl 5-(1-azepanylcarbonyl)-2-[(4-chlorobenzoyl)amino]-4-methyl-3-thiophenecarboxylate, ethyl 5-(azepane-1-carbonyl)-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate, ethyl 5-(azepan-1-ylcarbonyl)-2-[(4-chlorobenzene)amido]-4-methylthiophene-3-carboxylate
| Molecular Formula | C22H25ClN2O4S |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 5.15512 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 448.12234 |
| Heavy Atoms | 30 |
| Complexity | 931.3593 |
Chemical Identifiers
| CAS Number | 321532-29-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)N2CCCCCC2)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
BAS 00915555 (CAS 321532-29-0), with molecular formula C22H25ClN2O4S and molecular weight 448.12 g/mol. IUPAC: ethyl 5-(azepane-1-carbonyl)-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate.
Chemical Property Profile of BAS 00915555
Property Insights of BAS 00915555
The XLogP value of 5.15512 indicates that BAS 00915555 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915555. Following Lipinski's Rule of Five, BAS 00915555 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00915555?
The CAS number of BAS 00915555 is 321532-29-0.
What is the molecular formula of BAS 00915555?
The molecular formula of BAS 00915555 is C22H25ClN2O4S.
What is the molecular weight of BAS 00915555?
The molecular weight of BAS 00915555 is 448.12 g/mol.
Where can I buy BAS 00915555?
You can request a quote for BAS 00915555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915555?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.