3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
TL;DR: 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride (CAS 438-59-5) is a chemical compound with molecular formula C19H20ClN and molecular weight 297.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-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: N 7068 hydrochloride, Desmethyl Cyclobenzaprine Hydrochloride, Desmethylcyclobenzaprine HCl, N 7068 hydr ochloride, Ro 4-6011
| Molecular Formula | C19H20ClN |
|---|---|
| Molecular Weight | 297.13 g/mol |
| LogP | 4.63 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.12842 |
| Heavy Atoms | 21 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 438-59-5 |
|---|---|
| SMILES | CNCCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl |
| InChIKey | UZMPCPFDZYTEJG-UHFFFAOYSA-N |
Product Overview
3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride (CAS 438-59-5), with molecular formula C19H20ClN and molecular weight 297.13 g/mol. IUPAC: N-methyl-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 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
Property Insights of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride
The XLogP value of 4.63 indicates that 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.0 Ų, 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride has 2 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 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
The CAS number of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is 438-59-5.
What is the molecular formula of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
The molecular formula of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is C19H20ClN.
What is the molecular weight of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
The molecular weight of 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride is 297.13 g/mol.
Where can I buy 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
You can request a quote for 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)propyl(methyl)ammonium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.