甲氯芬酯
TL;DR: 甲氯芬酯 (CAS 51-68-3) is a chemical compound with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲氯芬酯
2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate
Also Known As: meclofenoxate, Proseryl, Analux, Meclofenoxane, Meclophenoxate
| Molecular Formula | C12H16ClNO3 |
|---|---|
| Molecular Weight | 257.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.08188 |
| Heavy Atoms | 17 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 51-68-3 |
|---|---|
| SMILES | CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl |
| InChIKey | XZTYGFHCIAKPGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲氯芬酯 (CAS 51-68-3), with molecular formula C12H16ClNO3 and molecular weight 257.08 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-(4-chlorophenoxy)acetate.
Chemical Property Profile of 甲氯芬酯
Property Insights of 甲氯芬酯
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲氯芬酯. With a topological polar surface area (TPSA) of 38.8 Ų, 甲氯芬酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲氯芬酯 has 0 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 甲氯芬酯?
The CAS number of 甲氯芬酯 is 51-68-3.
What is the molecular formula of 甲氯芬酯?
The molecular formula of 甲氯芬酯 is C12H16ClNO3.
What is the molecular weight of 甲氯芬酯?
The molecular weight of 甲氯芬酯 is 257.08 g/mol.
Where can I buy 甲氯芬酯?
You can request a quote for 甲氯芬酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲氯芬酯?
Yes, KEHONG BIO provides custom synthesis services for 甲氯芬酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.