α-羟基三唑仑
TL;DR: α-羟基三唑仑 (CAS 37115-45-0) is a chemical compound with molecular formula C17H12Cl2N4O and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-羟基三唑仑
[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
Also Known As: alpha-Hydroxytriazolam, A-Hydroxytriazolam, 1'-Hydroxy Triazolam, 1-Hydroxymethyltriazolam, 1'-hydroxytriazolam
| Molecular Formula | C17H12Cl2N4O |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.03882 |
| Heavy Atoms | 24 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 37115-45-0 |
|---|---|
| SMILES | C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4Cl)CO |
| InChIKey | BHUYWUDMVCLHND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-羟基三唑仑 (CAS 37115-45-0), with molecular formula C17H12Cl2N4O and molecular weight 358.04 g/mol. IUPAC: [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol.
Chemical Property Profile of α-羟基三唑仑
Property Insights of α-羟基三唑仑
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α-羟基三唑仑. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for α-羟基三唑仑. Following Lipinski's Rule of Five, α-羟基三唑仑 has 1 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 α-羟基三唑仑?
The CAS number of α-羟基三唑仑 is 37115-45-0.
What is the molecular formula of α-羟基三唑仑?
The molecular formula of α-羟基三唑仑 is C17H12Cl2N4O.
What is the molecular weight of α-羟基三唑仑?
The molecular weight of α-羟基三唑仑 is 358.04 g/mol.
Where can I buy α-羟基三唑仑?
You can request a quote for α-羟基三唑仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-羟基三唑仑?
Yes, KEHONG BIO provides custom synthesis services for α-羟基三唑仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.