N-Boc-Benzotriazole
TL;DR: N-Boc-Benzotriazole (CAS 130384-98-4) is a chemical compound with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl benzotriazole-1-carboxylate
Also Known As: N-Boc-Benzotriazole, akos 39, N-Boc-1H-benzotriazole, Tert-butyl Benzotriazole-1-carboxylate, n-butoxycarbonylbenzotriazole
| Molecular Formula | C11H13N3O2 |
|---|---|
| Molecular Weight | 219.10 g/mol |
| LogP | 2.2145 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 219.10077 |
| Heavy Atoms | 16 |
| Complexity | 525.25433 |
Chemical Identifiers
| CAS Number | 130384-98-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C2=CC=CC=C2N=N1 |
Product Overview
N-Boc-Benzotriazole (CAS 130384-98-4), with molecular formula C11H13N3O2 and molecular weight 219.10 g/mol. IUPAC: tert-butyl benzotriazole-1-carboxylate.
Chemical Property Profile of N-Boc-Benzotriazole
Property Insights of N-Boc-Benzotriazole
The XLogP value of 2.2145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-Benzotriazole. With a topological polar surface area (TPSA) of 57.01 Ų, N-Boc-Benzotriazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Boc-Benzotriazole has 0 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 N-Boc-Benzotriazole?
The CAS number of N-Boc-Benzotriazole is 130384-98-4.
What is the molecular formula of N-Boc-Benzotriazole?
The molecular formula of N-Boc-Benzotriazole is C11H13N3O2.
What is the molecular weight of N-Boc-Benzotriazole?
The molecular weight of N-Boc-Benzotriazole is 219.10 g/mol.
Where can I buy N-Boc-Benzotriazole?
You can request a quote for N-Boc-Benzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-Benzotriazole?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-Benzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.