阿拉丙酯
TL;DR: 阿拉丙酯 (CAS 60719-82-6) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿拉丙酯
[1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate
Also Known As: Alaproclate, Alaproclato, Alaproclatum, Alaproclate HCl, (S)-alaproclate
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 60719-82-6 |
|---|---|
| SMILES | CC(C(=O)OC(C)(C)CC1=CC=C(C=C1)Cl)N |
| InChIKey | FZSPJBYOKQPKCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿拉丙酯 (CAS 60719-82-6), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: [1-(4-chlorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate.
Chemical Property Profile of 阿拉丙酯
Property Insights of 阿拉丙酯
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 阿拉丙酯. With a topological polar surface area (TPSA) of 52.3 Ų, 阿拉丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿拉丙酯 has 1 hydrogen bond donor(s) and 3 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 阿拉丙酯?
The CAS number of 阿拉丙酯 is 60719-82-6.
What is the molecular formula of 阿拉丙酯?
The molecular formula of 阿拉丙酯 is C13H18ClNO2.
What is the molecular weight of 阿拉丙酯?
The molecular weight of 阿拉丙酯 is 255.10 g/mol.
Where can I buy 阿拉丙酯?
You can request a quote for 阿拉丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿拉丙酯?
Yes, KEHONG BIO provides custom synthesis services for 阿拉丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.