2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-
TL;DR: 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- (CAS 107680-32-0) is a chemical compound with molecular formula C21H22Cl2FN3O2 and molecular weight 437.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3S)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol
Also Known As: 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-, (2R,3S)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol, 2-(2,4-Dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)heptane-2,3-diol, (2R,3S)-2-(2,4-Dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)heptane-2,3-diol, 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, rel-(2R,3S)-
| Molecular Formula | C21H22Cl2FN3O2 |
|---|---|
| Molecular Weight | 437.11 g/mol |
| LogP | 4.6898 |
| Topological Polar Surface Area | 71.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 437.1073 |
| Heavy Atoms | 29 |
| Complexity | 953.0699 |
Chemical Identifiers
| CAS Number | 107680-32-0 |
|---|---|
| SMILES | CCCC[C@](C1=CC=C(C=C1)F)([C@](CN2C=NC=N2)(C3=C(C=C(C=C3)Cl)Cl)O)O |
Product Overview
2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- (CAS 107680-32-0), with molecular formula C21H22Cl2FN3O2 and molecular weight 437.11 g/mol. IUPAC: (2R,3S)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)heptane-2,3-diol.
Chemical Property Profile of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-
Property Insights of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-
The XLogP value of 4.6898 indicates that 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-. Following Lipinski's Rule of Five, 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- has 2 hydrogen bond donor(s) and 4 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 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-?
The CAS number of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is 107680-32-0.
What is the molecular formula of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-?
The molecular formula of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is C21H22Cl2FN3O2.
What is the molecular weight of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-?
The molecular weight of 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- is 437.11 g/mol.
Where can I buy 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-?
You can request a quote for 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)-?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Heptanediol, 2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-, (2R,3S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.