9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one
TL;DR: 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one (CAS 5237-79-6) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one
Also Known As: 9-hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one, 9-Hydroxy-3-methyl-3,4-dihydro-5H-1,4-benzodiazepin-5-one, 8-hydroxy-4-methyl-3,6-diazabicyclo[5.4.0]undeca-5,8,10,12-tetraen-2-one
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 61.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 5237-79-6 |
|---|---|
| SMILES | CC1C=NC2=C(C=CC=C2O)C(=O)N1 |
| InChIKey | WWPHQSQQLPFXLE-UHFFFAOYSA-N |
Product Overview
9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one (CAS 5237-79-6), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: 9-hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one.
Chemical Property Profile of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one
Property Insights of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one. The TPSA of 61.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one. Following Lipinski's Rule of Five, 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one has 2 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-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one?
The CAS number of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one is 5237-79-6.
What is the molecular formula of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one?
The molecular formula of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one is C10H10N2O2.
What is the molecular weight of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one?
The molecular weight of 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one is 190.07 g/mol.
Where can I buy 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one?
You can request a quote for 9-Hydroxy-3-methyl-3,4-dihydro-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-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-3-methyl-3,4-dihydro-1,4-benzodiazepin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.