Cyclobenzaprine Hydrochloride
TL;DR: Cyclobenzaprine Hydrochloride (CAS 6202-23-9) is a chemical compound with molecular formula C20H22ClN and molecular weight 311.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride
Also Known As: Cyclobenzaprine hydrochloride, Cyclobenzaprine HCL, Flexeril, Flexiban, Amrix
| Molecular Formula | C20H22ClN |
|---|---|
| Molecular Weight | 311.14 g/mol |
| LogP | 4.98 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.14407 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 6202-23-9 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl |
| InChIKey | VXEAYBOGHINOKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclobenzaprine Hydrochloride (CAS 6202-23-9), with molecular formula C20H22ClN and molecular weight 311.14 g/mol. IUPAC: N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine;hydrochloride.
Chemical Property Profile of Cyclobenzaprine Hydrochloride
Property Insights of Cyclobenzaprine Hydrochloride
The XLogP value of 4.98 indicates that Cyclobenzaprine Hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, Cyclobenzaprine Hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobenzaprine Hydrochloride has 1 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 Cyclobenzaprine Hydrochloride?
The CAS number of Cyclobenzaprine Hydrochloride is 6202-23-9.
What is the molecular formula of Cyclobenzaprine Hydrochloride?
The molecular formula of Cyclobenzaprine Hydrochloride is C20H22ClN.
What is the molecular weight of Cyclobenzaprine Hydrochloride?
The molecular weight of Cyclobenzaprine Hydrochloride is 311.14 g/mol.
Where can I buy Cyclobenzaprine Hydrochloride?
You can request a quote for Cyclobenzaprine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclobenzaprine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Cyclobenzaprine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.