Chlorproheptatrien
TL;DR: Chlorproheptatrien (CAS 5490-31-3) is a chemical compound with molecular formula C20H21Cl2N and molecular weight 345.11 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),4,6,9,11,13-heptaenylidene)propyl]-dimethylazanium chloride
Also Known As: Chlorproheptatrien, 5H-Dibenzo(a,d)cycloheptene-delta(sup 5)-gamma-propylamine, 3-chloro-N,N-dimethyl-, monohydrochloride, 1-Propanamine, 3-(3-chloro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N,N-dimethyl-, hydrochloride, 5H-Dibenzo[a,d]cycloheptene-.delta.5,.gamma.-propylamine, 3-chloro-N,N-dimethyl-, hydrochloride, RefChem:1081460
| Molecular Formula | C20H21Cl2N |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 0.7941 |
| Topological Polar Surface Area | 4.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1051 |
| Heavy Atoms | 23 |
| Complexity | 745.05695 |
Chemical Identifiers
| CAS Number | 5490-31-3 |
|---|---|
| SMILES | C[NH+](C)CC/C=C\1/C2=CC=CC=C2C=CC3=C1C=C(C=C3)Cl.[Cl-] |
Product Overview
Chlorproheptatrien (CAS 5490-31-3), with molecular formula C20H21Cl2N and molecular weight 345.11 g/mol. IUPAC: [(3Z)-3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene)propyl]-dimethylazanium chloride.
Chemical Property Profile of Chlorproheptatrien
Property Insights of Chlorproheptatrien
The XLogP value of 0.7941 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlorproheptatrien. With a topological polar surface area (TPSA) of 4.44 Ų, Chlorproheptatrien exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorproheptatrien 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 Chlorproheptatrien?
The CAS number of Chlorproheptatrien is 5490-31-3.
What is the molecular formula of Chlorproheptatrien?
The molecular formula of Chlorproheptatrien is C20H21Cl2N.
What is the molecular weight of Chlorproheptatrien?
The molecular weight of Chlorproheptatrien is 345.11 g/mol.
Where can I buy Chlorproheptatrien?
You can request a quote for Chlorproheptatrien directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorproheptatrien?
Yes, KEHONG BIO provides custom synthesis services for Chlorproheptatrien and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.