N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide
TL;DR: N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide (CAS 126981-29-1) is a chemical compound with molecular formula C19H22N8O2 and molecular weight 394.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[bis(benzotriazol-1-ylmethyl)amino]carbamate
Also Known As: Tert-butyl N-(bis(benzotriazol-1-ylmethyl)amino)carbamate, tert-butyl N-[bis(benzotriazol-1-ylmethyl)amino]carbamate, N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide
| Molecular Formula | C19H22N8O2 |
|---|---|
| Molecular Weight | 394.19 g/mol |
| LogP | 2.5329 |
| Topological Polar Surface Area | 102.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.18658 |
| Heavy Atoms | 29 |
| Complexity | 1067.7421 |
Chemical Identifiers
| CAS Number | 126981-29-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NN(CN1C2=CC=CC=C2N=N1)CN3C4=CC=CC=C4N=N3 |
Product Overview
N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide (CAS 126981-29-1), with molecular formula C19H22N8O2 and molecular weight 394.19 g/mol. IUPAC: tert-butyl N-[bis(benzotriazol-1-ylmethyl)amino]carbamate.
Chemical Property Profile of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide
Property Insights of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide
The XLogP value of 2.5329 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide. The TPSA of 102.99 Ų falls within the moderate polarity range, balancing permeability and solubility for N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide. Following Lipinski's Rule of Five, N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide has 1 hydrogen bond donor(s) and 7 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',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide?
The CAS number of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide is 126981-29-1.
What is the molecular formula of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide?
The molecular formula of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide is C19H22N8O2.
What is the molecular weight of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide?
The molecular weight of N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide is 394.19 g/mol.
Where can I buy N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide?
You can request a quote for N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N',N'-Bis(1H-1,2,3-benzotriazol-1-ylmethyl)(tert-butoxy)carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.