2,4-Dimethyl-3H-1,5-benzodiazepine
TL;DR: 2,4-Dimethyl-3H-1,5-benzodiazepine (CAS 58413-99-3) is a chemical compound with molecular formula C11H12N2 and molecular weight 172.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-3H-1,5-benzodiazepine
Also Known As: 2,4-Dimethyl-3H-1,5-benzodiazepine, NCIOpen2_007238, 3H-1,5-Benzodiazepine, 2,4-dimethyl-, 2,4-Dimethyl-3H-benzo[b][1,4]diazepine, 2,4aDimethyla3Ha1,5abenzodiazepine
| Molecular Formula | C11H12N2 |
|---|---|
| Molecular Weight | 172.10 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 24.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.10005 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 58413-99-3 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N=C(C1)C |
| InChIKey | KSFDHSSNYJNHAN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyl-3H-1,5-benzodiazepine (CAS 58413-99-3), with molecular formula C11H12N2 and molecular weight 172.10 g/mol. IUPAC: 2,4-dimethyl-3H-1,5-benzodiazepine.
Chemical Property Profile of 2,4-Dimethyl-3H-1,5-benzodiazepine
Property Insights of 2,4-Dimethyl-3H-1,5-benzodiazepine
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-3H-1,5-benzodiazepine. With a topological polar surface area (TPSA) of 24.7 Ų, 2,4-Dimethyl-3H-1,5-benzodiazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-3H-1,5-benzodiazepine 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 2,4-Dimethyl-3H-1,5-benzodiazepine?
The CAS number of 2,4-Dimethyl-3H-1,5-benzodiazepine is 58413-99-3.
What is the molecular formula of 2,4-Dimethyl-3H-1,5-benzodiazepine?
The molecular formula of 2,4-Dimethyl-3H-1,5-benzodiazepine is C11H12N2.
What is the molecular weight of 2,4-Dimethyl-3H-1,5-benzodiazepine?
The molecular weight of 2,4-Dimethyl-3H-1,5-benzodiazepine is 172.10 g/mol.
Where can I buy 2,4-Dimethyl-3H-1,5-benzodiazepine?
You can request a quote for 2,4-Dimethyl-3H-1,5-benzodiazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-3H-1,5-benzodiazepine?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-3H-1,5-benzodiazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.