2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-
TL;DR: 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- (CAS 107680-26-2) is a chemical compound with molecular formula C16H22ClN3O2 and molecular weight 323.14005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3R)-2-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-2,3-diol
Also Known As: 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-, (2S,3R)-2-(4-chlorophenyl)-3-(1,2,4-triazol-1-ylmethyl)heptane-2,3-diol, (2S,3R)-2-(4-Chlorophenyl)-3-[(1H-1,2,4-triazol-1-yl)methyl]heptane-2,3-diol, 2,3-Heptanediol,2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2R,3S)-rel-, 2,3-Pentanediol,3,4-dimethyl-2-phenyl-1-(1H-1,2,4-triazol-1-yl)-,(R*,S*)-(9CI)
Technical Specifications
| Molecular Formula | C16H22ClN3O2 |
| Molecular Weight | 323.14005 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 71.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 323.14005 Da |
| Heavy Atoms | 22 |
| Complexity | 352.0 |
| SMILES | CCCC[C@@](CN1C=NC=N1)([C@](C)(C2=CC=C(C=C2)Cl)O)O |
| InChIKey | DSFPPUJPRUNVCI-JKSUJKDBSA-N |
Chemical Property Profile of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-
Property Insights of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-. The TPSA of 71.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-. Following Lipinski's Rule of Five, 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- 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
What is the CAS number of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-?
The CAS number of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- is 107680-26-2.
What is the molecular formula of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-?
The molecular formula of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- is C16H22ClN3O2.
What is the molecular weight of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-?
The molecular weight of 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- is 323.14005 g/mol.
Where can I buy 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-?
You can request a quote for 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)-?
Yes, CoreyChem provides custom synthesis services for 2,3-Heptanediol, 2-(4-chlorophenyl)-3-(1H-1,2,4-triazol-1-ylmethyl)-, (2S,3R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.