2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride
TL;DR: 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride (CAS 56740-91-1) is a chemical compound with molecular formula C18H18ClN and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,4-diphenylcyclohexa-2,5-dien-1-yl)azanium chloride
Also Known As: 4,4-Diphenyl-2,5-cyclohexadien-1-amine hydrochloride, (4,4-diphenylcyclohexa-2,5-dien-1-yl)azanium chloride, 2,5-CYCLOHEXADIEN-1-AMINE, 4,4-DIPHENYL-, HYDROCHLORIDE, RefChem:247162
| Molecular Formula | C18H18ClN |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | -0.29 |
| Topological Polar Surface Area | 27.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.11276 |
| Heavy Atoms | 20 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 56740-91-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2(C=CC(C=C2)[NH3+])C3=CC=CC=C3.[Cl-] |
| InChIKey | TYWBEUUADNKLKF-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride (CAS 56740-91-1), with molecular formula C18H18ClN and molecular weight 283.11 g/mol. IUPAC: (4,4-diphenylcyclohexa-2,5-dien-1-yl)azanium chloride.
Chemical Property Profile of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride
Property Insights of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride
The XLogP value of -0.29 indicates that 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.6 Ų, 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride has 1 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 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride?
The CAS number of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride is 56740-91-1.
What is the molecular formula of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride?
The molecular formula of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride is C18H18ClN.
What is the molecular weight of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride?
The molecular weight of 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride is 283.11 g/mol.
Where can I buy 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride?
You can request a quote for 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-amine, 4,4-diphenyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.