![3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 structure](/static/products/185/18598-31-7.png)
3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4
TL;DR: 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 (CAS 18598-31-7) is a chemical compound with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Also Known As: 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4, (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]-4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4,4-dioxide
| Molecular Formula | C16H18N2O6S |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | -0.4576 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.08856 |
| Heavy Atoms | 25 |
| Complexity | 848.63574 |
Chemical Identifiers
| CAS Number | 18598-31-7 |
|---|---|
| SMILES | CC1(C(N2C(S1(=O)=O)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C |
Product Overview
3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 (CAS 18598-31-7), with molecular formula C16H18N2O6S and molecular weight 366.09 g/mol. IUPAC: 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid.
Chemical Property Profile of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4
Property Insights of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4
The XLogP value of -0.4576 indicates that 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4. Following Lipinski's Rule of Five, 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 has 2 hydrogen bond donor(s) and 5 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 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4?
The CAS number of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 is 18598-31-7.
What is the molecular formula of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4?
The molecular formula of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 is C16H18N2O6S.
What is the molecular weight of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4?
The molecular weight of 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 is 366.09 g/mol.
Where can I buy 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4?
You can request a quote for 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-4,4,7-trioxo-6-[(2-phenylacetyl)amino]-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.