Amitriptyline embonate
TL;DR: Amitriptyline embonate (CAS 17086-03-2) is a chemical compound with molecular formula C43H39NO6 and molecular weight 665.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;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 embonate, amitriptyline, amitriptylinepamoate, 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine, 2-Naphthalenecarboxylic acid, 4,4'-methylenebis[3-hydroxy-, compd. with 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-1-propanamine (1:2)
| Molecular Formula | C43H39NO6 |
|---|---|
| Molecular Weight | 665.28 g/mol |
| LogP | 8.56 |
| Topological Polar Surface Area | 118.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 665.2777 |
| Heavy Atoms | 50 |
| Complexity | 2117.9722 |
Chemical Identifiers
| CAS Number | 17086-03-2 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O |
Product Overview
Amitriptyline embonate (CAS 17086-03-2), with molecular formula C43H39NO6 and molecular weight 665.28 g/mol. IUPAC: 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid;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 Amitriptyline embonate
Property Insights of Amitriptyline embonate
The XLogP value of 8.56 indicates that Amitriptyline embonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Amitriptyline embonate. Following Lipinski's Rule of Five, Amitriptyline embonate has 4 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 Amitriptyline embonate?
The CAS number of Amitriptyline embonate is 17086-03-2.
What is the molecular formula of Amitriptyline embonate?
The molecular formula of Amitriptyline embonate is C43H39NO6.
What is the molecular weight of Amitriptyline embonate?
The molecular weight of Amitriptyline embonate is 665.28 g/mol.
Where can I buy Amitriptyline embonate?
You can request a quote for Amitriptyline embonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amitriptyline embonate?
Yes, KEHONG BIO provides custom synthesis services for Amitriptyline embonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.