1H-Benzotriazole-1-propanamide
TL;DR: 1H-Benzotriazole-1-propanamide (CAS 69218-57-1) is a chemical compound with molecular formula C9H10N4O and molecular weight 190.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzotriazol-1-yl)propanamide
Also Known As: 1H-Benzotriazole-1-propanamide, 3-(1H-1,2,3-benzotriazol-1-yl)propanamide, 3-(benzotriazol-1-yl)propanamide, 3-Benzotriazol-1-yl-propionamide, beta-benzotriazol-1-ylpropionamide
| Molecular Formula | C9H10N4O |
|---|---|
| Molecular Weight | 190.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 73.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.08546 |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 69218-57-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CCC(=O)N |
| InChIKey | XQOLSTSARQVYIQ-UHFFFAOYSA-N |
Product Overview
1H-Benzotriazole-1-propanamide (CAS 69218-57-1), with molecular formula C9H10N4O and molecular weight 190.09 g/mol. IUPAC: 3-(benzotriazol-1-yl)propanamide.
Chemical Property Profile of 1H-Benzotriazole-1-propanamide
Property Insights of 1H-Benzotriazole-1-propanamide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Benzotriazole-1-propanamide. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Benzotriazole-1-propanamide. Following Lipinski's Rule of Five, 1H-Benzotriazole-1-propanamide 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 1H-Benzotriazole-1-propanamide?
The CAS number of 1H-Benzotriazole-1-propanamide is 69218-57-1.
What is the molecular formula of 1H-Benzotriazole-1-propanamide?
The molecular formula of 1H-Benzotriazole-1-propanamide is C9H10N4O.
What is the molecular weight of 1H-Benzotriazole-1-propanamide?
The molecular weight of 1H-Benzotriazole-1-propanamide is 190.09 g/mol.
Where can I buy 1H-Benzotriazole-1-propanamide?
You can request a quote for 1H-Benzotriazole-1-propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Benzotriazole-1-propanamide?
Yes, KEHONG BIO provides custom synthesis services for 1H-Benzotriazole-1-propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.