![1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one structure](/static/products/5219/52196-99-3.webp)
1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one
TL;DR: 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one (CAS 52196-99-3) is a chemical compound with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,5,6,7,8-hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one
Also Known As: Iso-thaz, Isothaz, 1,4,5,6,7,8-hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one, 5,6,7,8-tetrahydro-4h-isoxazolo[3,4-d]azepin-3-ol, 4h-isoxazolo[3,4-d]azepin-3-ol,5,6,7,8-tetrahydro-
| Molecular Formula | C7H10N2O2 |
|---|---|
| Molecular Weight | 154.07 g/mol |
| LogP | -0.3439 |
| Topological Polar Surface Area | 58.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.07423 |
| Heavy Atoms | 11 |
| Complexity | 299.63437 |
Chemical Identifiers
| CAS Number | 52196-99-3 |
|---|---|
| SMILES | C1CNCCC2=C1C(=O)ON2 |
Product Overview
1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one (CAS 52196-99-3), with molecular formula C7H10N2O2 and molecular weight 154.07 g/mol. IUPAC: 1,4,5,6,7,8-hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one.
Chemical Property Profile of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one
Property Insights of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one
The XLogP value of -0.3439 indicates that 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.03 Ų, 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-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 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one?
The CAS number of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one is 52196-99-3.
What is the molecular formula of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one?
The molecular formula of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one is C7H10N2O2.
What is the molecular weight of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one?
The molecular weight of 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one is 154.07 g/mol.
Where can I buy 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one?
You can request a quote for 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4,5,6,7,8-Hexahydro-[1,2]oxazolo[3,4-d]azepin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.