1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid
TL;DR: 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid (CAS 87936-82-1) is a chemical compound with molecular formula C20H27NO4 and molecular weight 345.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzylidenecyclohexyl)azetidine;butanedioic acid
Also Known As: TAZADOLENE SUCCINATE
| Molecular Formula | C20H27NO4 |
|---|---|
| Molecular Weight | 345.19 g/mol |
| LogP | 3.65 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.194 |
| Heavy Atoms | 25 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 87936-82-1 |
|---|---|
| SMILES | C1CCC(=CC2=CC=CC=C2)C(C1)N3CCC3.C(CC(=O)O)C(=O)O |
| InChIKey | IEXXCIWKNWOEKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid (CAS 87936-82-1), with molecular formula C20H27NO4 and molecular weight 345.19 g/mol. IUPAC: 1-(2-benzylidenecyclohexyl)azetidine;butanedioic acid.
Chemical Property Profile of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid
Property Insights of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid
The XLogP value of 3.65 indicates that 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid. Following Lipinski's Rule of Five, 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid 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 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid?
The CAS number of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid is 87936-82-1.
What is the molecular formula of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid?
The molecular formula of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid is C20H27NO4.
What is the molecular weight of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid?
The molecular weight of 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid is 345.19 g/mol.
Where can I buy 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid?
You can request a quote for 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzylidenecyclohexyl)azetidine;butanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.