1-(1-Isocyanobutyl)-1H-benzotriazole
TL;DR: 1-(1-Isocyanobutyl)-1H-benzotriazole (CAS 130291-27-9) is a chemical compound with molecular formula C11H12N4 and molecular weight 200.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-isocyanobutyl)benzotriazole
Also Known As: 1-(1-isocyanobutyl)benzotriazole, 1-(1-Isocyanobutyl)-1H-benzotriazole
| Molecular Formula | C11H12N4 |
|---|---|
| Molecular Weight | 200.11 g/mol |
| LogP | 2.64929 |
| Topological Polar Surface Area | 35.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.1062 |
| Heavy Atoms | 15 |
| Complexity | 494.50238 |
Chemical Identifiers
| CAS Number | 130291-27-9 |
|---|---|
| SMILES | CCCC([N+]#[C-])N1C2=CC=CC=C2N=N1 |
Product Overview
1-(1-Isocyanobutyl)-1H-benzotriazole (CAS 130291-27-9), with molecular formula C11H12N4 and molecular weight 200.11 g/mol. IUPAC: 1-(1-isocyanobutyl)benzotriazole.
Chemical Property Profile of 1-(1-Isocyanobutyl)-1H-benzotriazole
Property Insights of 1-(1-Isocyanobutyl)-1H-benzotriazole
The XLogP value of 2.64929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Isocyanobutyl)-1H-benzotriazole. With a topological polar surface area (TPSA) of 35.07 Ų, 1-(1-Isocyanobutyl)-1H-benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanobutyl)-1H-benzotriazole has 0 hydrogen bond donor(s) and 2 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-(1-Isocyanobutyl)-1H-benzotriazole?
The CAS number of 1-(1-Isocyanobutyl)-1H-benzotriazole is 130291-27-9.
What is the molecular formula of 1-(1-Isocyanobutyl)-1H-benzotriazole?
The molecular formula of 1-(1-Isocyanobutyl)-1H-benzotriazole is C11H12N4.
What is the molecular weight of 1-(1-Isocyanobutyl)-1H-benzotriazole?
The molecular weight of 1-(1-Isocyanobutyl)-1H-benzotriazole is 200.11 g/mol.
Where can I buy 1-(1-Isocyanobutyl)-1H-benzotriazole?
You can request a quote for 1-(1-Isocyanobutyl)-1H-benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Isocyanobutyl)-1H-benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Isocyanobutyl)-1H-benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.