1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol
TL;DR: 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol (CAS 91438-24-3) is a chemical compound with molecular formula C9H10ClN3O2 and molecular weight 227.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol
Also Known As: 1-chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol, 1-Chloro-3-(1-oxo-3H-1lambda~5~,2,3-benzotriazol-3-yl)propan-2-ol
| Molecular Formula | C9H10ClN3O2 |
|---|---|
| Molecular Weight | 227.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.04616 |
| Heavy Atoms | 15 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 91438-24-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(N=[N+]2[O-])CC(CCl)O |
| InChIKey | QTTSOXBBAKMTGM-UHFFFAOYSA-N |
Product Overview
1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol (CAS 91438-24-3), with molecular formula C9H10ClN3O2 and molecular weight 227.05 g/mol. IUPAC: 1-chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol.
Chemical Property Profile of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol
Property Insights of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol. Following Lipinski's Rule of Five, 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol has 1 hydrogen bond donor(s) and 3 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-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol?
The CAS number of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol is 91438-24-3.
What is the molecular formula of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol?
The molecular formula of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol is C9H10ClN3O2.
What is the molecular weight of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol?
The molecular weight of 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol is 227.05 g/mol.
Where can I buy 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol?
You can request a quote for 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-(3-oxidobenzotriazol-3-ium-1-yl)propan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.