2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol
TL;DR: 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS 135272-34-3) is a chemical compound with molecular formula C12H13F2N3OS and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R)-2-(2,4-difluorophenyl)-3-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: Dfpmtb, 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol, PYR-LEU-THR-PHE-THR-SER-SER-TRP-GLY-NH2, (2r,3r)-2-(2,4-difluorophenyl)-3-sulfanyl-1-(1h-1,2,4-triazol-1-yl)butan-2-ol, (2R,3R)-2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol
| Molecular Formula | C12H13F2N3OS |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 51.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.07474 |
| Heavy Atoms | 19 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 135272-34-3 |
|---|---|
| SMILES | C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)S |
| InChIKey | XAIWELGWMZINMU-PRHODGIISA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol (CAS 135272-34-3), with molecular formula C12H13F2N3OS and molecular weight 285.07 g/mol. IUPAC: (2R,3R)-2-(2,4-difluorophenyl)-3-sulfanyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol
Property Insights of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol. With a topological polar surface area (TPSA) of 51.9 Ų, 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol has 2 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 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol?
The CAS number of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol is 135272-34-3.
What is the molecular formula of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol?
The molecular formula of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol is C12H13F2N3OS.
What is the molecular weight of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol?
The molecular weight of 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol is 285.07 g/mol.
Where can I buy 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol?
You can request a quote for 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,4-Difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-butanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.