環苯扎林
TL;DR: 環苯扎林 (CAS 303-53-7) is a chemical compound with molecular formula C20H21N and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
環苯扎林
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
| Molecular Formula | C20H21N |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.1674 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
| Melting Point | 217 |
| Boiling Point | BP: 175-180 °C at 1 atm |
| Solubility | Freely Soluble |
Chemical Identifiers
| CAS Number | 303-53-7 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31 |
| InChIKey | JURKNVYFZMSNLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
環苯扎林 (CAS 303-53-7), with molecular formula C20H21N and molecular weight 275.17 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.
Chemical Property Profile of 環苯扎林
Property Insights of 環苯扎林
The XLogP value of 5.2 indicates that 環苯扎林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.2 Ų, 環苯扎林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 環苯扎林 has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 環苯扎林?
The CAS number of 環苯扎林 is 303-53-7.
What is the molecular formula of 環苯扎林?
The molecular formula of 環苯扎林 is C20H21N.
What is the molecular weight of 環苯扎林?
The molecular weight of 環苯扎林 is 275.17 g/mol.
Where can I buy 環苯扎林?
You can request a quote for 環苯扎林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 環苯扎林?
Yes, KEHONG BIO provides custom synthesis services for 環苯扎林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.