N-butylbenzotriazole-1-carboxamide
TL;DR: N-butylbenzotriazole-1-carboxamide (CAS 39764-19-7) is a chemical compound with molecular formula C11H14N4O and molecular weight 218.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butylbenzotriazole-1-carboxamide
Also Known As: N-butylbenzotriazole-1-carboxamide, N-butyl-1H-1,2,3-benzotriazole-1-carboxamide, benzotriazole-1-carboxylic acid butylamide, 1-(1-butylaminocarbonyl)-1H-benzotriazole, RefChem:363614
| Molecular Formula | C11H14N4O |
|---|---|
| Molecular Weight | 218.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.11676 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 39764-19-7 |
|---|---|
| SMILES | CCCCNC(=O)N1C2=CC=CC=C2N=N1 |
| InChIKey | BFRVBUAPJYIVOK-UHFFFAOYSA-N |
Product Overview
N-butylbenzotriazole-1-carboxamide (CAS 39764-19-7), with molecular formula C11H14N4O and molecular weight 218.12 g/mol. IUPAC: N-butylbenzotriazole-1-carboxamide.
Chemical Property Profile of N-butylbenzotriazole-1-carboxamide
Property Insights of N-butylbenzotriazole-1-carboxamide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-butylbenzotriazole-1-carboxamide. With a topological polar surface area (TPSA) of 59.8 Ų, N-butylbenzotriazole-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-butylbenzotriazole-1-carboxamide 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 N-butylbenzotriazole-1-carboxamide?
The CAS number of N-butylbenzotriazole-1-carboxamide is 39764-19-7.
What is the molecular formula of N-butylbenzotriazole-1-carboxamide?
The molecular formula of N-butylbenzotriazole-1-carboxamide is C11H14N4O.
What is the molecular weight of N-butylbenzotriazole-1-carboxamide?
The molecular weight of N-butylbenzotriazole-1-carboxamide is 218.12 g/mol.
Where can I buy N-butylbenzotriazole-1-carboxamide?
You can request a quote for N-butylbenzotriazole-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butylbenzotriazole-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-butylbenzotriazole-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.