2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)
TL;DR: 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) (CAS 14569-74-5) is a chemical compound with molecular formula C22H20Cl2O6 and molecular weight 450.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-chloro-2-methylphenoxy)acetyl]oxybut-2-ynyl 2-(4-chloro-2-methylphenoxy)acetate
Also Known As: Acetic acid, 2-butynylene ester, 1,4-Bis(2-methyl-4-chlorophenoxyacetoxy)-2-butyne, 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate), 2-Butyne-1, bis(4-chloro-2-methylphenoxyacetate), Bis[[(4-chloro-o-tolyl)oxy]acetic acid]2-butyne-1,4-diyl ester
| Molecular Formula | C22H20Cl2O6 |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 450.0637 |
| Heavy Atoms | 30 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 14569-74-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)OCC#CCOC(=O)COC2=C(C=C(C=C2)Cl)C |
| InChIKey | MDDXOTKGUJAELO-UHFFFAOYSA-N |
Product Overview
2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) (CAS 14569-74-5), with molecular formula C22H20Cl2O6 and molecular weight 450.06 g/mol. IUPAC: 4-[2-(4-chloro-2-methylphenoxy)acetyl]oxybut-2-ynyl 2-(4-chloro-2-methylphenoxy)acetate.
Chemical Property Profile of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)
Property Insights of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)
The XLogP value of 5.4 indicates that 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate). Following Lipinski's Rule of Five, 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)?
The CAS number of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) is 14569-74-5.
What is the molecular formula of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)?
The molecular formula of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) is C22H20Cl2O6.
What is the molecular weight of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)?
The molecular weight of 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) is 450.06 g/mol.
Where can I buy 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)?
You can request a quote for 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyne-1,4-diol, bis(4-chloro-2-methylphenoxyacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.