HB-Compound
TL;DR: HB-Compound (CAS 4680-44-8) is a chemical compound with molecular formula C17H14ClN3O2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
Also Known As: HB-Compound, Alprazolam Impurity 11, Alprazolam EP Impurity B, 5-CHLORO-2-[3-(HYDROXYMETHYL)-5-METHYL-4H-1,2,4-TRIAZOL-4-YL]BENZOPHENONE, 2-[3-(HYDROXYMETHYL)-5-METHYL-4-TRIAZOLYL]-5-CHLOROBENZOPHENONE
| Molecular Formula | C17H14ClN3O2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.07745 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 4680-44-8 |
|---|---|
| SMILES | CC1=NN=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CO |
| InChIKey | UZEKJKOIIZBJFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
HB-Compound (CAS 4680-44-8), with molecular formula C17H14ClN3O2 and molecular weight 327.08 g/mol. IUPAC: [5-chloro-2-[3-(hydroxymethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone.
Chemical Property Profile of HB-Compound
Property Insights of HB-Compound
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for HB-Compound. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for HB-Compound. Following Lipinski's Rule of Five, HB-Compound 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 HB-Compound?
The CAS number of HB-Compound is 4680-44-8.
What is the molecular formula of HB-Compound?
The molecular formula of HB-Compound is C17H14ClN3O2.
What is the molecular weight of HB-Compound?
The molecular weight of HB-Compound is 327.08 g/mol.
Where can I buy HB-Compound?
You can request a quote for HB-Compound directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for HB-Compound?
Yes, KEHONG BIO provides custom synthesis services for HB-Compound and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.