1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-
TL;DR: 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- (CAS 107659-85-8) is a chemical compound with molecular formula C16H17Cl2N3O3 and molecular weight 369.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,5R)-5-butyl-4-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one
Also Known As: 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-, (4S,5R)-5-butyl-4-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one, (4S,5R)-5-Butyl-4-(2,4-dichlorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-one, 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, rel-(4S,5R)-, 1,3-Dioxolan-2-one,5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4R,5S)-rel-
| Molecular Formula | C16H17Cl2N3O3 |
|---|---|
| Molecular Weight | 369.06 g/mol |
| LogP | 4.206 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0647 |
| Heavy Atoms | 24 |
| Complexity | 723.3627 |
Chemical Identifiers
| CAS Number | 107659-85-8 |
|---|---|
| SMILES | CCCC[C@@H]1[C@@](OC(=O)O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- (CAS 107659-85-8), with molecular formula C16H17Cl2N3O3 and molecular weight 369.06 g/mol. IUPAC: (4S,5R)-5-butyl-4-(2,4-dichlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-2-one.
Chemical Property Profile of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-
Property Insights of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-
The XLogP value of 4.206 indicates that 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- 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 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-. Following Lipinski's Rule of Five, 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- has 0 hydrogen bond donor(s) and 5 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 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
The CAS number of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 107659-85-8.
What is the molecular formula of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
The molecular formula of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is C16H17Cl2N3O3.
What is the molecular weight of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
The molecular weight of 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- is 369.06 g/mol.
Where can I buy 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
You can request a quote for 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolan-2-one, 5-butyl-4-(2,4-dichlorophenyl)-4-(1H-1,2,4-triazol-1-ylmethyl)-, (4S,5R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.