BAS 03086259
TL;DR: BAS 03086259 (CAS 429623-69-8) is a chemical compound with molecular formula C18H25ClN2O3 and molecular weight 352.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
Also Known As: BAS 03086259, ETHYL 1-{2-[(3-CHLORO-2-METHYLPHENYL)CARBAMOYL]ETHYL}PIPERIDINE-4-CARBOXYLATE, ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxylate, 1-[2-(3-Chloro-2-methyl-phenylcarbamoyl)-ethyl]-piperidine-4-carboxylic acid ethyl ester, ethyl 1-(3-((3-chloro-2-methylphenyl)amino)-3-oxopropyl)piperidine-4-carboxylate
| Molecular Formula | C18H25ClN2O3 |
|---|---|
| Molecular Weight | 352.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 352.15536 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 429623-69-8 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)CCC(=O)NC2=C(C(=CC=C2)Cl)C |
| InChIKey | RINYNDHGPMMUPG-UHFFFAOYSA-N |
Product Overview
BAS 03086259 (CAS 429623-69-8), with molecular formula C18H25ClN2O3 and molecular weight 352.16 g/mol. IUPAC: ethyl 1-[3-(3-chloro-2-methylanilino)-3-oxopropyl]piperidine-4-carboxylate.
Chemical Property Profile of BAS 03086259
Property Insights of BAS 03086259
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 03086259. With a topological polar surface area (TPSA) of 58.6 Ų, BAS 03086259 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 03086259 has 1 hydrogen bond donor(s) and 4 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 03086259?
The CAS number of BAS 03086259 is 429623-69-8.
What is the molecular formula of BAS 03086259?
The molecular formula of BAS 03086259 is C18H25ClN2O3.
What is the molecular weight of BAS 03086259?
The molecular weight of BAS 03086259 is 352.16 g/mol.
Where can I buy BAS 03086259?
You can request a quote for BAS 03086259 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 03086259?
Yes, KEHONG BIO provides custom synthesis services for BAS 03086259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.