![1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone structure](/static/products/4391/439110-57-3.webp)
1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone
TL;DR: 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone (CAS 439110-57-3) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4,5-bis(hydroxymethyl)triazol-1-yl]phenyl]ethanone
Also Known As: 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone, 1-[4-[4,5-bis(hydroxymethyl)triazol-1-yl]phenyl]ethanone, 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one, 5R-0825, Ethanone, 1-[4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl]-
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.4545 |
| Topological Polar Surface Area | 88.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 560.44666 |
Chemical Identifiers
| CAS Number | 439110-57-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(=C(N=N2)CO)CO |
Product Overview
1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone (CAS 439110-57-3), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 1-[4-[4,5-bis(hydroxymethyl)triazol-1-yl]phenyl]ethanone.
Chemical Property Profile of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone
Property Insights of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone
The XLogP value of 0.4545 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone. The TPSA of 88.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone. Following Lipinski's Rule of Five, 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone has 2 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-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone?
The CAS number of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone is 439110-57-3.
What is the molecular formula of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone?
The molecular formula of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone is C12H13N3O3.
What is the molecular weight of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone?
The molecular weight of 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone is 247.10 g/mol.
Where can I buy 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone?
You can request a quote for 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[4,5-bis(hydroxymethyl)-1H-1,2,3-triazol-1-yl]phenyl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.