4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium
TL;DR: 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium (CAS 13681-36-2) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl]-trimethylazanium chloride
Also Known As: Sid 729365, 4-(N-(3-Chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium, (4-Hydroxy-2-butenyl)trimethylammonium chloride m-chlorocarbanilate, [(E)-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl]-trimethylazanium;chloride, 2-Buten-1-aminium, 4-((((3-chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-, chloride
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 0.1549 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 456.73227 |
Chemical Identifiers
| CAS Number | 13681-36-2 |
|---|---|
| SMILES | C[N+](C)(C)C/C=C/COC(=O)NC1=CC(=CC=C1)Cl.[Cl-] |
Product Overview
4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium (CAS 13681-36-2), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: [(E)-4-[(3-chlorophenyl)carbamoyloxy]but-2-enyl]-trimethylazanium chloride.
Chemical Property Profile of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium
Property Insights of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium
The XLogP value of 0.1549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium. With a topological polar surface area (TPSA) of 38.33 Ų, 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium 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 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium?
The CAS number of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium is 13681-36-2.
What is the molecular formula of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium?
The molecular formula of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium is C14H20Cl2N2O2.
What is the molecular weight of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium?
The molecular weight of 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium is 318.09 g/mol.
Where can I buy 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium?
You can request a quote for 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for 4-(N-(3-chlorophenyl)carbamoyloxy)-2-butenyltrimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.