Chlorproheptadiene hydrochloride
TL;DR: Chlorproheptadiene hydrochloride (CAS 2047-30-5) is a chemical compound with molecular formula C20H23Cl2N and molecular weight 347.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3Z)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)propyl]-dimethylazanium chloride
Also Known As: Chlorproheptadien, Chlorproheptadiene hydrochloride, Chloroamitriptyline hydrochloride, Chlorproheptadiene hydrochlroide, 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 3-chloro-10,11-dihydro-N,N-dimethyl-, monohydrochloride
| Molecular Formula | C20H23Cl2N |
|---|---|
| Molecular Weight | 347.12 g/mol |
| LogP | 0.4089 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.12076 |
| Heavy Atoms | 23 |
| Complexity | 704.5379 |
Chemical Identifiers
| CAS Number | 2047-30-5 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.[Cl-] |
Product Overview
Chlorproheptadiene hydrochloride (CAS 2047-30-5), with molecular formula C20H23Cl2N and molecular weight 347.12 g/mol. IUPAC: [(3Z)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of Chlorproheptadiene hydrochloride
Property Insights of Chlorproheptadiene hydrochloride
The XLogP value of 0.4089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorproheptadiene hydrochloride. With a topological polar surface area (TPSA) of 4.44 Ų, Chlorproheptadiene hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorproheptadiene hydrochloride has 1 hydrogen bond donor(s) and 0 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 Chlorproheptadiene hydrochloride?
The CAS number of Chlorproheptadiene hydrochloride is 2047-30-5.
What is the molecular formula of Chlorproheptadiene hydrochloride?
The molecular formula of Chlorproheptadiene hydrochloride is C20H23Cl2N.
What is the molecular weight of Chlorproheptadiene hydrochloride?
The molecular weight of Chlorproheptadiene hydrochloride is 347.12 g/mol.
Where can I buy Chlorproheptadiene hydrochloride?
You can request a quote for Chlorproheptadiene hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorproheptadiene hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Chlorproheptadiene hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.