1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
TL;DR: 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione (CAS 18852-32-9) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
Also Known As: 1-methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione, 1-Methyl-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 18852-32-9 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)NNC1=O |
| InChIKey | GBKSVTSETRUISK-UHFFFAOYSA-N |
Product Overview
1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione (CAS 18852-32-9), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 1-methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione.
Chemical Property Profile of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
Property Insights of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione. Following Lipinski's Rule of Five, 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione has 2 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 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione?
The CAS number of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione is 18852-32-9.
What is the molecular formula of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione?
The molecular formula of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione is C9H9N3O2.
What is the molecular weight of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione?
The molecular weight of 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione is 191.07 g/mol.
Where can I buy 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione?
You can request a quote for 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.