1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-
TL;DR: 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- (CAS 58414-04-3) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,4S)-2,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
Also Known As: 1H-1,5-BENZODIAZEPINE, 2,3,4,5-TETRAHYDRO-2,4-DIMETHYL-, cis-, cis-2,4-Dimethyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepine, (2R,4S)-2,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, 1H-1,5-Benzodiazepine,2,3,4,5-tetrahydro-2,4-dimethyl-,cis-
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 58414-04-3 |
|---|---|
| SMILES | C[C@@H]1C[C@@H](NC2=CC=CC=C2N1)C |
| InChIKey | QRAUFFKHTOMHCX-DTORHVGOSA-N |
Product Overview
1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- (CAS 58414-04-3), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: (2R,4S)-2,4-dimethyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.
Chemical Property Profile of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-
Property Insights of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-. With a topological polar surface area (TPSA) of 24.1 Ų, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- 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 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-?
The CAS number of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- is 58414-04-3.
What is the molecular formula of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-?
The molecular formula of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- is C11H16N2.
What is the molecular weight of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-?
The molecular weight of 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- is 176.13 g/mol.
Where can I buy 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-?
You can request a quote for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,5-Benzodiazepine, 2,3,4,5-tetrahydro-2,4-dimethyl-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.