![N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide structure](/static/products/6080/60807-07-0.webp)
N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
TL;DR: N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide (CAS 60807-07-0) is a chemical compound with molecular formula C22H31N3O7 and molecular weight 449.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
Also Known As: N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide, N'-[(3,4-Dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-(propan-2-yl)octahydro[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide, OCTAHYDRO-9A-HYDROXY-2-(1-METHYLETHYL)OXAZOLO[3, 2-[(3,4-DIMETHOXYPHENYL)ACETYL]HYDRAZIDE
| Molecular Formula | C22H31N3O7 |
|---|---|
| Molecular Weight | 449.22 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.2162 |
| Heavy Atoms | 32 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 60807-07-0 |
|---|---|
| SMILES | CC(C)C1(C(=O)N2CCCCCC2(O1)O)C(=O)NNC(=O)CC3=CC(=C(C=C3)OC)OC |
| InChIKey | NTKGIQQNWOYNIS-UHFFFAOYSA-N |
Product Overview
N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide (CAS 60807-07-0), with molecular formula C22H31N3O7 and molecular weight 449.22 g/mol. IUPAC: N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide.
Chemical Property Profile of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
Property Insights of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide. Following Lipinski's Rule of Five, N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide 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 N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide?
The CAS number of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide is 60807-07-0.
What is the molecular formula of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide?
The molecular formula of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide is C22H31N3O7.
What is the molecular weight of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide?
The molecular weight of N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide is 449.22 g/mol.
Where can I buy N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide?
You can request a quote for N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-[2-(3,4-dimethoxyphenyl)acetyl]-9a-hydroxy-3-oxo-2-propan-2-yl-6,7,8,9-tetrahydro-5H-[1,3]oxazolo[3,2-a]azepine-2-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.