Tilidine fumarate
TL;DR: Tilidine fumarate (CAS 55567-81-2) is a chemical compound with molecular formula C21H27NO6 and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
Also Known As: Tilidine fumarate, EINECS 259-711-1, ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate (2E)-but-2-enedioate, 3-Cyclohexene-1-carboxylic acid, 2-(dimethylamino)-1-phenyl-, ethyl ester, trans-(+-)-, (E)-2-butenedioate (1:1), ethyl 2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate but-2-enedioate
| Molecular Formula | C21H27NO6 |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 2.4795 |
| Topological Polar Surface Area | 104.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.18384 |
| Heavy Atoms | 28 |
| Complexity | 709.67114 |
Chemical Identifiers
| CAS Number | 55567-81-2 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
Tilidine fumarate (CAS 55567-81-2), with molecular formula C21H27NO6 and molecular weight 389.18 g/mol. IUPAC: (E)-but-2-enedioic acid;ethyl (1S,2R)-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate.
Chemical Property Profile of Tilidine fumarate
Property Insights of Tilidine fumarate
The XLogP value of 2.4795 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tilidine fumarate. The TPSA of 104.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Tilidine fumarate. Following Lipinski's Rule of Five, Tilidine fumarate has 2 hydrogen bond donor(s) and 5 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 Tilidine fumarate?
The CAS number of Tilidine fumarate is 55567-81-2.
What is the molecular formula of Tilidine fumarate?
The molecular formula of Tilidine fumarate is C21H27NO6.
What is the molecular weight of Tilidine fumarate?
The molecular weight of Tilidine fumarate is 389.18 g/mol.
Where can I buy Tilidine fumarate?
You can request a quote for Tilidine fumarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tilidine fumarate?
Yes, KEHONG BIO provides custom synthesis services for Tilidine fumarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.