C14H18BrCl2N
TL;DR: C14H18BrCl2N (CAS 1035371-47-1) is a chemical compound with molecular formula C14H18BrCl2N and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2,3-dichloro-3-phenylprop-2-enyl]-dimethyl-prop-2-enylazanium bromide
Also Known As: Allyl-((E)-2,3-dichloro-3-phenyl-allyl)-dimethyl-ammonium, (E)-N-allyl-2,3-dichloro-N,N-dimethyl-3-phenylprop-2-en-1-aminium bromide, C14H18BrCl2N
| Molecular Formula | C14H18BrCl2N |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 1.0992 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.99997 |
| Heavy Atoms | 18 |
| Complexity | 413.06198 |
Chemical Identifiers
| CAS Number | 1035371-47-1 |
|---|---|
| SMILES | C[N+](C)(CC=C)C/C(=C(/C1=CC=CC=C1)\Cl)/Cl.[Br-] |
Product Overview
C14H18BrCl2N (CAS 1035371-47-1), with molecular formula C14H18BrCl2N and molecular weight 349.00 g/mol. IUPAC: [(E)-2,3-dichloro-3-phenylprop-2-enyl]-dimethyl-prop-2-enylazanium bromide.
Chemical Property Profile of C14H18BrCl2N
Property Insights of C14H18BrCl2N
The XLogP value of 1.0992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C14H18BrCl2N. With a topological polar surface area (TPSA) of 0.0 Ų, C14H18BrCl2N exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C14H18BrCl2N has 0 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 C14H18BrCl2N?
The CAS number of C14H18BrCl2N is 1035371-47-1.
What is the molecular formula of C14H18BrCl2N?
The molecular formula of C14H18BrCl2N is C14H18BrCl2N.
What is the molecular weight of C14H18BrCl2N?
The molecular weight of C14H18BrCl2N is 349.00 g/mol.
Where can I buy C14H18BrCl2N?
You can request a quote for C14H18BrCl2N directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H18BrCl2N?
Yes, KEHONG BIO provides custom synthesis services for C14H18BrCl2N and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.