Cyclobenzaprine
TL;DR: Cyclobenzaprine (CAS 303-53-7) is a chemical compound with molecular formula C20H21N and molecular weight 275.1674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N-dimethyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propan-1-amine
Also Known As: cyclobenzaprine, Proheptatriene, Proheptatrien, Ciclobenzaprina, Proeptatriene
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H21N |
| Molecular Weight | 275.1674 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.1674 Da |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| Melting Point | 217 |
| Boiling Point | BP: 175-180 °C at 1 atm |
| Solubility | Freely Soluble |
| SMILES | CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31 |
| InChIKey | JURKNVYFZMSNLP-UHFFFAOYSA-N |
Product Description
Applications: Cyclobenzaprine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cyclobenzaprine (CAS 303-53-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Cyclobenzaprine (CAS 303-53-7) has the molecular formula C20H21N and a molecular weight of 275.17 g/mol. Reported properties include a solubility: Freely Soluble. It is also known as cyclobenzaprine and Proheptatriene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cyclobenzaprine
Property Insights of Cyclobenzaprine
The XLogP value of 5.2 indicates that Cyclobenzaprine 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclobenzaprine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Cyclobenzaprine?
The CAS number of Cyclobenzaprine is 303-53-7.
What is the molecular formula of Cyclobenzaprine?
The molecular formula of Cyclobenzaprine is C20H21N.
What is the molecular weight of Cyclobenzaprine?
The molecular weight of Cyclobenzaprine is 275.1674 g/mol.
What are the applications of Cyclobenzaprine?
Cyclobenzaprine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Cyclobenzaprine (CAS 303-53-7) with...
Where can I buy Cyclobenzaprine?
You can request a quote for Cyclobenzaprine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclobenzaprine?
Yes, CoreyChem provides custom synthesis services for Cyclobenzaprine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.