(4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
TL;DR: (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one (CAS 107659-72-3) is a chemical compound with molecular formula C18H12Cl3N3O3 and molecular weight 422.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Also Known As: (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-, (4S,5R)-4-(4-Chlorophenyl)-5-(2,4-dichlorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-one, (4S,5R)-5-(4-CHLOROPHENYL)-4-(2,4-DICHLOROPHENYL)-4-(1H-1,2,4-TRIAZOL-1-YLMETHYL)-1,3-DIOXOLAN-2-ONE, 1,3-Dioxolan-2-one, 4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4S,5R)-
| Molecular Formula | C18H12Cl3N3O3 |
|---|---|
| Molecular Weight | 422.99 g/mol |
| LogP | 5.0419 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.99442 |
| Heavy Atoms | 27 |
| Complexity | 979.27185 |
Chemical Identifiers
| CAS Number | 107659-72-3 |
|---|---|
| SMILES | C1=CC(=CC=C1[C@@]2([C@H](OC(=O)O2)C3=C(C=C(C=C3)Cl)Cl)CN4C=NC=N4)Cl |
Product Overview
(4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one (CAS 107659-72-3), with molecular formula C18H12Cl3N3O3 and molecular weight 422.99 g/mol. IUPAC: (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one.
Chemical Property Profile of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Property Insights of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
The XLogP value of 5.0419 indicates that (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one. Following Lipinski's Rule of Five, (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
The CAS number of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is 107659-72-3.
What is the molecular formula of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
The molecular formula of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is C18H12Cl3N3O3.
What is the molecular weight of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
The molecular weight of (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one is 422.99 g/mol.
Where can I buy (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
You can request a quote for (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one?
Yes, KEHONG BIO provides custom synthesis services for (4S,5R)-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.