![9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one structure](/static/products/898/898096-15-6.png)
9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one
TL;DR: 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one (CAS 898096-15-6) is a chemical compound with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-6-one
Also Known As: 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one, 5-(3-hydroxyphenyl)-8,8-dimethyl-3,5,7,9-tetrahydro-1H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-6-one, 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-5H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-8-ol
| Molecular Formula | C17H18N4O3 |
|---|---|
| Molecular Weight | 326.14 g/mol |
| LogP | 2.9971 |
| Topological Polar Surface Area | 100.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.13788 |
| Heavy Atoms | 24 |
| Complexity | 853.02545 |
Chemical Identifiers
| CAS Number | 898096-15-6 |
|---|---|
| SMILES | CC1(CC2=C(C(NC3=NON=C3N2)C4=CC(=CC=C4)O)C(=O)C1)C |
Product Overview
9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one (CAS 898096-15-6), with molecular formula C17H18N4O3 and molecular weight 326.14 g/mol. IUPAC: 5-(3-hydroxyphenyl)-8,8-dimethyl-5,7,9,10-tetrahydro-4H-[1,2,5]oxadiazolo[3,4-b][1,4]benzodiazepin-6-one.
Chemical Property Profile of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one
Property Insights of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one
The XLogP value of 2.9971 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one. The TPSA of 100.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one. Following Lipinski's Rule of Five, 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one has 3 hydrogen bond donor(s) and 7 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-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one?
The CAS number of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one is 898096-15-6.
What is the molecular formula of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one?
The molecular formula of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one is C17H18N4O3.
What is the molecular weight of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one?
The molecular weight of 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one is 326.14 g/mol.
Where can I buy 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one?
You can request a quote for 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 9-(3-hydroxyphenyl)-6,6-dimethyl-6,7,9,10-tetrahydro-4H-benzo[e][1,2,5]oxadiazolo[3,4-b][1,4]diazepin-8(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.