9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one
TL;DR: 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one (CAS 94295-80-4) is a chemical compound with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one
Also Known As: 9-hydroxy-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one, 3,4-dihydro-9-hydroxy-4-allyl-5H-1,4-benzodiazepin-5-one, 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one
| Molecular Formula | C12H12N2O2 |
|---|---|
| Molecular Weight | 216.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.08987 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 94295-80-4 |
|---|---|
| SMILES | C=CCN1CC=NC2=C(C1=O)C=CC=C2O |
| InChIKey | WJVQEAWVMALXHH-UHFFFAOYSA-N |
Product Overview
9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one (CAS 94295-80-4), with molecular formula C12H12N2O2 and molecular weight 216.09 g/mol. IUPAC: 9-hydroxy-4-prop-2-enyl-3H-1,4-benzodiazepin-5-one.
Chemical Property Profile of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one
Property Insights of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one. With a topological polar surface area (TPSA) of 52.9 Ų, 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one has 1 hydrogen bond donor(s) and 3 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 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
The CAS number of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one is 94295-80-4.
What is the molecular formula of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
The molecular formula of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one is C12H12N2O2.
What is the molecular weight of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
The molecular weight of 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one is 216.09 g/mol.
Where can I buy 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
You can request a quote for 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-4-(prop-2-en-1-yl)-3,4-dihydro-5H-1,4-benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.