1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-
TL;DR: 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- (CAS 18852-14-7) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
Also Known As: 3,4-Dihydro-1H-1,3,4-benzotriazepine-2,5-dione, 1,3,4-Benzotriazepine-1H-2,5-dione, 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-, 2,3,4,5-tetrahydro-1h-1,3,4-benzotriazepine-2,5-dione, 1H-1,3,4-Benzotriazepine-2,5(3H,4H)-dione
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 18852-14-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NNC(=O)N2 |
| InChIKey | CVZWVWUMINKTDA-UHFFFAOYSA-N |
Product Overview
1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- (CAS 18852-14-7), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione.
Chemical Property Profile of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-
Property Insights of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-. Following Lipinski's Rule of Five, 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- has 3 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 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-?
The CAS number of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- is 18852-14-7.
What is the molecular formula of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-?
The molecular formula of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- is C8H7N3O2.
What is the molecular weight of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-?
The molecular weight of 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- is 177.05 g/mol.
Where can I buy 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-?
You can request a quote for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.