Di(1-benzotriazolyl)carbonate
TL;DR: Di(1-benzotriazolyl)carbonate (CAS 88544-01-8) is a chemical compound with molecular formula C13H8N6O3 and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(benzotriazol-1-yl) carbonate
Also Known As: di(benzotriazol-1-yl)carbonate, bis carbonate, dibenzotriazolyl carbonate, di(1-benzotriazolyl)carbonate, bis(1-benzotriazolyl) carbonate
| Molecular Formula | C13H8N6O3 |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 0.8534 |
| Topological Polar Surface Area | 96.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0658 |
| Heavy Atoms | 22 |
| Complexity | 897.908 |
Chemical Identifiers
| CAS Number | 88544-01-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2OC(=O)ON3C4=CC=CC=C4N=N3 |
Product Overview
Di(1-benzotriazolyl)carbonate (CAS 88544-01-8), with molecular formula C13H8N6O3 and molecular weight 296.07 g/mol. IUPAC: bis(benzotriazol-1-yl) carbonate.
Chemical Property Profile of Di(1-benzotriazolyl)carbonate
Property Insights of Di(1-benzotriazolyl)carbonate
The XLogP value of 0.8534 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di(1-benzotriazolyl)carbonate. The TPSA of 96.95 Ų falls within the moderate polarity range, balancing permeability and solubility for Di(1-benzotriazolyl)carbonate. Following Lipinski's Rule of Five, Di(1-benzotriazolyl)carbonate has 0 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 Di(1-benzotriazolyl)carbonate?
The CAS number of Di(1-benzotriazolyl)carbonate is 88544-01-8.
What is the molecular formula of Di(1-benzotriazolyl)carbonate?
The molecular formula of Di(1-benzotriazolyl)carbonate is C13H8N6O3.
What is the molecular weight of Di(1-benzotriazolyl)carbonate?
The molecular weight of Di(1-benzotriazolyl)carbonate is 296.07 g/mol.
Where can I buy Di(1-benzotriazolyl)carbonate?
You can request a quote for Di(1-benzotriazolyl)carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di(1-benzotriazolyl)carbonate?
Yes, KEHONG BIO provides custom synthesis services for Di(1-benzotriazolyl)carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.