Cyclobenzaprine-10,11-epoxide
TL;DR: Cyclobenzaprine-10,11-epoxide (CAS 58256-08-9) is a chemical compound with molecular formula C20H21NO and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(3-oxatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-ylidene)propan-1-amine
Also Known As: Cyclobenzaprine epoxide, Cyclobenzaprine-10,11-epoxide, Amitriptyline Impurity 14, Cyclobenzaprine Impurity 9, Cyclobenzaprine 10,11-oxide
| Molecular Formula | C20H21NO |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.16232 |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 58256-08-9 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2C3C(O3)C4=CC=CC=C41 |
| InChIKey | ZNQICSISFHQSST-UHFFFAOYSA-N |
Product Overview
Cyclobenzaprine-10,11-epoxide (CAS 58256-08-9), with molecular formula C20H21NO and molecular weight 291.16 g/mol. IUPAC: N,N-dimethyl-3-(3-oxatetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaen-11-ylidene)propan-1-amine.
Chemical Property Profile of Cyclobenzaprine-10,11-epoxide
Property Insights of Cyclobenzaprine-10,11-epoxide
The XLogP value of 3.2 indicates that Cyclobenzaprine-10,11-epoxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 15.8 Ų, Cyclobenzaprine-10,11-epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobenzaprine-10,11-epoxide has 0 hydrogen bond donor(s) and 2 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 Cyclobenzaprine-10,11-epoxide?
The CAS number of Cyclobenzaprine-10,11-epoxide is 58256-08-9.
What is the molecular formula of Cyclobenzaprine-10,11-epoxide?
The molecular formula of Cyclobenzaprine-10,11-epoxide is C20H21NO.
What is the molecular weight of Cyclobenzaprine-10,11-epoxide?
The molecular weight of Cyclobenzaprine-10,11-epoxide is 291.16 g/mol.
Where can I buy Cyclobenzaprine-10,11-epoxide?
You can request a quote for Cyclobenzaprine-10,11-epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobenzaprine-10,11-epoxide?
Yes, KEHONG BIO provides custom synthesis services for Cyclobenzaprine-10,11-epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.