3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride
TL;DR: 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride (CAS 46294-70-6) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,7-trimethyl-3H-1,5-benzodiazepine
Also Known As: 2,4,7-Trimethyl-3H-benzo[b][1,4]diazepine, 2,4,7-Trimethyl-3H-1,5-benzodiazepine, 2,6-dimethyl-1-oxy-pyridin-4-ylamine, BB 0246854, J1.205.990F
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 46294-70-6 |
|---|---|
| SMILES | CC1=NC2=C(C=C(C=C2)C)N=C(C1)C |
| InChIKey | BLIZGILQKYSTOU-UHFFFAOYSA-N |
Product Overview
3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride (CAS 46294-70-6), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 2,4,7-trimethyl-3H-1,5-benzodiazepine.
Chemical Property Profile of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride
Property Insights of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride. With a topological polar surface area (TPSA) of 24.7 Ų, 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride has 0 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 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride?
The CAS number of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride is 46294-70-6.
What is the molecular formula of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride?
The molecular formula of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride is C12H14N2.
What is the molecular weight of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride?
The molecular weight of 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride is 186.12 g/mol.
Where can I buy 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride?
You can request a quote for 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 3H-1,5-Benzodiazepine, 2,4,7-trimethyl-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.