阿米替林
TL;DR: 阿米替林 (CAS 50-48-6) is a chemical compound with molecular formula C20H23N and molecular weight 277.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿米替林
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Also Known As: amitriptyline, Amitriptylin, Seroten, Damitriptyline, Triptanol
| Molecular Formula | C20H23N |
|---|---|
| Molecular Weight | 277.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.18304 |
| Heavy Atoms | 21 |
| Complexity | 331.0 |
| Melting Point | 196-197 |
| Boiling Point | 410.26°C (rough estimate) |
| Solubility | freely soluble in water |
Chemical Identifiers
| CAS Number | 50-48-6 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 |
| InChIKey | KRMDCWKBEZIMAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
阿米替林 (CAS 50-48-6), with molecular formula C20H23N and molecular weight 277.18 g/mol. IUPAC: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine.
Chemical Property Profile of 阿米替林
Property Insights of 阿米替林
The XLogP value of 5.0 indicates that 阿米替林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 阿米替林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿米替林 has 0 hydrogen bond donor(s) and 1 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 阿米替林?
The CAS number of 阿米替林 is 50-48-6.
What is the molecular formula of 阿米替林?
The molecular formula of 阿米替林 is C20H23N.
What is the molecular weight of 阿米替林?
The molecular weight of 阿米替林 is 277.18 g/mol.
Where can I buy 阿米替林?
You can request a quote for 阿米替林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿米替林?
Yes, KEHONG BIO provides custom synthesis services for 阿米替林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.