C21H27BrClNO.ClH
TL;DR: C21H27BrClNO.ClH (CAS 16793-70-7) is a chemical compound with molecular formula C21H28BrCl2NO and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)methyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride
Also Known As: WV 820, p-Bromo-N-(2-chloroethyl)-N-(2-(p-cymene-3-yloxy)ethyl)benzylamine hydrochloride, Benzylamine, p-bromo-N-(2-chloroethyl)-N-(2-(p-cymene-3-yloxy)ethyl)-, hydrochloride, (4-bromophenyl)methyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride, Benzylamine, p-bromo-N-(2-chloroethyl)-N-[2-(thymyloxy)ethyl]-, hydrochloride
| Molecular Formula | C21H28BrCl2NO |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 1.59 |
| Topological Polar Surface Area | 13.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.07312 |
| Heavy Atoms | 26 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 16793-70-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC[NH+](CCCl)CC2=CC=C(C=C2)Br.[Cl-] |
| InChIKey | IHWKJBFRXRXOMP-UHFFFAOYSA-N |
Product Overview
C21H27BrClNO.ClH (CAS 16793-70-7), with molecular formula C21H28BrCl2NO and molecular weight 459.07 g/mol. IUPAC: (4-bromophenyl)methyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride.
Chemical Property Profile of C21H27BrClNO.ClH
Property Insights of C21H27BrClNO.ClH
The XLogP value of 1.59 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H27BrClNO.ClH. With a topological polar surface area (TPSA) of 13.7 Ų, C21H27BrClNO.ClH exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H27BrClNO.ClH has 1 hydrogen bond donor(s) and 2 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 C21H27BrClNO.ClH?
The CAS number of C21H27BrClNO.ClH is 16793-70-7.
What is the molecular formula of C21H27BrClNO.ClH?
The molecular formula of C21H27BrClNO.ClH is C21H28BrCl2NO.
What is the molecular weight of C21H27BrClNO.ClH?
The molecular weight of C21H27BrClNO.ClH is 459.07 g/mol.
Where can I buy C21H27BrClNO.ClH?
You can request a quote for C21H27BrClNO.ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H27BrClNO.ClH?
Yes, KEHONG BIO provides custom synthesis services for C21H27BrClNO.ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.