2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯)
TL;DR: 2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯) (CAS 21840-68-6) is a chemical compound with molecular formula C18H14Cl2N2O4 and molecular weight 392.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯)
4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl N-(4-chlorophenyl)carbamate
Also Known As: 2-Butyne-1,4-diol, bis(p-chlorophenylcarbamate), Carbanilic acid, 2-butynylene ester, Carbanilic acid, p-chloro-, 2-butynylene ester, 2-Butyne-1, bis(p-chlorophenylcarbamate), but-2-yne-1,4-diyl bis[(4-chlorophenyl)carbamate]
| Molecular Formula | C18H14Cl2N2O4 |
|---|---|
| Molecular Weight | 392.03 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.03305 |
| Heavy Atoms | 26 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 21840-68-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCC#CCOC(=O)NC2=CC=C(C=C2)Cl)Cl |
| InChIKey | AUTSISAOODLEAN-UHFFFAOYSA-N |
Product Overview
2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯) (CAS 21840-68-6), with molecular formula C18H14Cl2N2O4 and molecular weight 392.03 g/mol. IUPAC: 4-[(4-chlorophenyl)carbamoyloxy]but-2-ynyl N-(4-chlorophenyl)carbamate.
Chemical Property Profile of 2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯)
Property Insights of 2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯)
The XLogP value of 4.1 indicates that 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-丁炔-1,4-二醇双(4-氯苯基氨基甲酸酯). Following Lipinski's Rule of Five, 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) has 2 hydrogen bond donor(s) and 4 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-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯)?
The CAS number of 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) is 21840-68-6.
What is the molecular formula of 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯)?
The molecular formula of 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) is C18H14Cl2N2O4.
What is the molecular weight of 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯)?
The molecular weight of 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) is 392.03 g/mol.
Where can I buy 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯)?
You can request a quote for 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯)?
Yes, KEHONG BIO provides custom synthesis services for 2-丁炔-1,4-二醇双(对氯苯基氨基甲酸酯) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.