![methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate structure](/static/products/859/85960-74-3.png)
methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate
TL;DR: methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate (CAS 85960-74-3) is a chemical compound with molecular formula C19H21NO6 and molecular weight 359.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-acetyl-6-benzyl-1,3-dimethyl-5-oxo-2,4-dioxa-9-azatricyclo[4.2.1.03,7]nonane-7-carboxylate
Also Known As: methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate, Methyl 1-acetyl-6a-benzyl-2,4-dimethyl-6-oxotetrahydro-1H-2,4-epoxyfuro[3,4-b]pyrrole-3a(4H)-carboxylate, Methyl 1-acetyl-6a-benzyl-2,4-dimethyl-6-oxotetrahydro-1H-2,4-epoxyfuro[3,4-b]pyrrole-3a-carboxylate, Methyl 9-acetyl-6-benzyl-1,3-dimethyl-5-oxo-2,4-dioxa-9-azatricyclo[4.2.1.03,7]nonane-7-carboxylate
| Molecular Formula | C19H21NO6 |
|---|---|
| Molecular Weight | 359.14 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 359.1369 |
| Heavy Atoms | 26 |
| Complexity | 688.0 |
Chemical Identifiers
| CAS Number | 85960-74-3 |
|---|---|
| SMILES | CC(=O)N1C2(CC3(C1(C(=O)OC3(O2)C)CC4=CC=CC=C4)C(=O)OC)C |
| InChIKey | PKEFXYCLUPEOGI-UHFFFAOYSA-N |
Product Overview
methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate (CAS 85960-74-3), with molecular formula C19H21NO6 and molecular weight 359.14 g/mol. IUPAC: methyl 9-acetyl-6-benzyl-1,3-dimethyl-5-oxo-2,4-dioxa-9-azatricyclo[4.2.1.03,7]nonane-7-carboxylate.
Chemical Property Profile of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate
Property Insights of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate. Following Lipinski's Rule of Five, methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate has 0 hydrogen bond donor(s) and 6 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 methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate?
The CAS number of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate is 85960-74-3.
What is the molecular formula of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate?
The molecular formula of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate is C19H21NO6.
What is the molecular weight of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate?
The molecular weight of methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate is 359.14 g/mol.
Where can I buy methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate?
You can request a quote for methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl acetyl-benzyl-dimethyl-oxo-[?]carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.