(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
TL;DR: (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CAS 32781-96-7) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Also Known As: Demethylated Cyclopeptin, J2.095.919C, (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, (S)-3-benzyl-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione, 3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 1.9798 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 652.53625 |
Chemical Identifiers
| CAS Number | 32781-96-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@H]2C(=O)NC3=CC=CC=C3C(=O)N2 |
Product Overview
(3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CAS 32781-96-7), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
Chemical Property Profile of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Property Insights of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
The XLogP value of 1.9798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione. With a topological polar surface area (TPSA) of 58.2 Ų, (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-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 (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The CAS number of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is 32781-96-7.
What is the molecular formula of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The molecular formula of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is C16H14N2O2.
What is the molecular weight of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The molecular weight of (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is 266.11 g/mol.
Where can I buy (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
You can request a quote for (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-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 (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
Yes, KEHONG BIO provides custom synthesis services for (3S)-3-benzyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.