![[4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 structure](/static/products/7614/7614-29-1.webp)
[4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵
TL;DR: [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 (CAS 7614-29-1) is a chemical compound with molecular formula C14H18ClN2O2+ and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵
4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium
Also Known As: McN-A-343, Lopac-C-7041, Lopac0_000277, (4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium, 4-(m-Chlorophenylcarbamoyloxy)-2-butynyl)trimethylammonium
| Molecular Formula | C14H18ClN2O2+ |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.10568 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 7614-29-1 |
|---|---|
| SMILES | C[N+](C)(C)CC#CCOC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | DDKOMKXCUXCQBS-UHFFFAOYSA-O |
Product Overview
[4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 (CAS 7614-29-1), with molecular formula C14H18ClN2O2+ and molecular weight 281.11 g/mol. IUPAC: 4-[(3-chlorophenyl)carbamoyloxy]but-2-ynyl-trimethylazanium.
Chemical Property Profile of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵
Property Insights of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵. With a topological polar surface area (TPSA) of 38.3 Ų, [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 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-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵?
The CAS number of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 is 7614-29-1.
What is the molecular formula of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵?
The molecular formula of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 is C14H18ClN2O2+.
What is the molecular weight of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵?
The molecular weight of [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 is 281.11 g/mol.
Where can I buy [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵?
You can request a quote for [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵?
Yes, KEHONG BIO provides custom synthesis services for [4-(间氯苯基氨基甲酰氧基)-2-丁炔基]三甲基铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.