2,4,5-T丙二醇异丁基醚酯
TL;DR: 2,4,5-T丙二醇异丁基醚酯 (CAS 53466-86-7) is a chemical compound with molecular formula C23H24Cl6O7 and molecular weight 621.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-T丙二醇异丁基醚酯
butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate;1-hydroxypropan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2,4,5-T propylene glycol isobutyl ether ester, 2,4,5-T, ISOBUTOXYISOPROPANOL ESTER, Acetic acid, (2,4,5-trichlorophenoxy)-, ester with 1(or 2)-(2-methylpropoxy)propanol, Acetic acid, (2,4,5-trichlorophenoxy)-, methyl-2-(2-methylpropoxy)ethyl ester, butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate; 1-hydroxypropan-2-yl 2-(2,4,5-trichlorophenoxy)acetate
| Molecular Formula | C23H24Cl6O7 |
|---|---|
| Molecular Weight | 621.97 g/mol |
| LogP | 7.32 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 623.96234 |
| Heavy Atoms | 36 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 53466-86-7 |
|---|---|
| SMILES | CCC(C)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl.CC(CO)OC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | BKTGXGFMTPRBBW-UHFFFAOYSA-N |
Product Overview
2,4,5-T丙二醇异丁基醚酯 (CAS 53466-86-7), with molecular formula C23H24Cl6O7 and molecular weight 621.97 g/mol. IUPAC: butan-2-yl 2-(2,4,5-trichlorophenoxy)acetate;1-hydroxypropan-2-yl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of 2,4,5-T丙二醇异丁基醚酯
Property Insights of 2,4,5-T丙二醇异丁基醚酯
The XLogP value of 7.32 indicates that 2,4,5-T丙二醇异丁基醚酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-T丙二醇异丁基醚酯. Following Lipinski's Rule of Five, 2,4,5-T丙二醇异丁基醚酯 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-T丙二醇异丁基醚酯?
The CAS number of 2,4,5-T丙二醇异丁基醚酯 is 53466-86-7.
What is the molecular formula of 2,4,5-T丙二醇异丁基醚酯?
The molecular formula of 2,4,5-T丙二醇异丁基醚酯 is C23H24Cl6O7.
What is the molecular weight of 2,4,5-T丙二醇异丁基醚酯?
The molecular weight of 2,4,5-T丙二醇异丁基醚酯 is 621.97 g/mol.
Where can I buy 2,4,5-T丙二醇异丁基醚酯?
You can request a quote for 2,4,5-T丙二醇异丁基醚酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-T丙二醇异丁基醚酯?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-T丙二醇异丁基醚酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.