1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-
TL;DR: 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- (CAS 6326-29-0) is a chemical compound with molecular formula C16H9N3O2 and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylbenzo[f]benzotriazole-4,9-dione
Also Known As: IDO1/TDO-IN-2, 5-???pyridine-2,4-diol, 3-phenylbenzo[f]benzotriazole-4,9-dione, 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-, 1-Phenyl-1H-naphtho[2,3-d]triazole-4,9-dione
| Molecular Formula | C16H9N3O2 |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 64.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.0695 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 6326-29-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C(=O)C4=CC=CC=C4C3=O)N=N2 |
| InChIKey | KXGSYSDSQRXROA-UHFFFAOYSA-N |
Product Overview
1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- (CAS 6326-29-0), with molecular formula C16H9N3O2 and molecular weight 275.07 g/mol. IUPAC: 3-phenylbenzo[f]benzotriazole-4,9-dione.
Chemical Property Profile of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-
Property Insights of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-
The XLogP value of 3.0 indicates that 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-. Following Lipinski's Rule of Five, 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- 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 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-?
The CAS number of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- is 6326-29-0.
What is the molecular formula of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-?
The molecular formula of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- is C16H9N3O2.
What is the molecular weight of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-?
The molecular weight of 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- is 275.07 g/mol.
Where can I buy 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-?
You can request a quote for 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Naphtho(2,3-d)-1,2,3-triazole-4,9-dione, 1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.