2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
TL;DR: 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol (CAS 1163771-31-0) is a chemical compound with molecular formula C12H15N3O5 and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: BAS 00131337, 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol, 2-(benzotriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol, 2-(1H-1,2,3-benzotriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol, 2-(1H-1,2,3-benzotriazol-1-yl)-6-(hydroxymethyl)tetrahydro-4H-pyran-3,4,5-triol
| Molecular Formula | C12H15N3O5 |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.10117 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 1163771-31-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2C3C(C(C(C(O3)CO)O)O)O |
| InChIKey | DGJIWQRFVGEAEV-UHFFFAOYSA-N |
Product Overview
2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol (CAS 1163771-31-0), with molecular formula C12H15N3O5 and molecular weight 281.10 g/mol. IUPAC: 2-(benzotriazol-1-yl)-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
Property Insights of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol
The XLogP value of -1.1 indicates that 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol. Following Lipinski's Rule of Five, 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol has 4 hydrogen bond donor(s) and 7 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-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol?
The CAS number of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol is 1163771-31-0.
What is the molecular formula of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol?
The molecular formula of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol is C12H15N3O5.
What is the molecular weight of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol?
The molecular weight of 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol is 281.10 g/mol.
Where can I buy 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol?
You can request a quote for 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzotriazol-1-yl-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.