RefChem:126392
TL;DR: RefChem:126392 (CAS 67914-84-5) is a chemical compound with molecular formula C20H17Cl2N3O4 and molecular weight 433.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate
Also Known As: EINECS 267-746-9, cis-2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-ylmethyl benzoate, [(2S,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate, [(2S,4S)-2-(2,4-dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl]methyl benzoate, {(2S,4S)-2-(2,4-Dichlorophenyl)-2-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-4-yl}methyl benzoate
| Molecular Formula | C20H17Cl2N3O4 |
|---|---|
| Molecular Weight | 433.06 g/mol |
| LogP | 3.7103 |
| Topological Polar Surface Area | 75.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.0596 |
| Heavy Atoms | 29 |
| Complexity | 984.65607 |
Chemical Identifiers
| CAS Number | 67914-84-5 |
|---|---|
| SMILES | C1[C@H](O[C@](O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl)COC(=O)C4=CC=CC=C4 |
Product Overview
RefChem:126392 (CAS 67914-84-5), with molecular formula C20H17Cl2N3O4 and molecular weight 433.06 g/mol. IUPAC: [(2S,4S)-2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl benzoate.
Chemical Property Profile of RefChem:126392
Property Insights of RefChem:126392
The XLogP value of 3.7103 indicates that RefChem:126392 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.47 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:126392. Following Lipinski's Rule of Five, RefChem:126392 has 0 hydrogen bond donor(s) and 6 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 RefChem:126392?
The CAS number of RefChem:126392 is 67914-84-5.
What is the molecular formula of RefChem:126392?
The molecular formula of RefChem:126392 is C20H17Cl2N3O4.
What is the molecular weight of RefChem:126392?
The molecular weight of RefChem:126392 is 433.06 g/mol.
Where can I buy RefChem:126392?
You can request a quote for RefChem:126392 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:126392?
Yes, KEHONG BIO provides custom synthesis services for RefChem:126392 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.