(2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4
TL;DR: (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 (CAS 956247-08-8) is a chemical compound with molecular formula C13H20N2O6S2 and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-4-methylsulfanylbutanoic acid
Also Known As: (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4, (S)-2-((2S,5R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido)-4-(methylthio)butanoic acid, N-{[(2S,5R)-3,3-dimethyl-4,4-dioxido-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl}-L-methionine
| Molecular Formula | C13H20N2O6S2 |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | -0.5571 |
| Topological Polar Surface Area | 120.85 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.0763 |
| Heavy Atoms | 23 |
| Complexity | 644.85016 |
Chemical Identifiers
| CAS Number | 956247-08-8 |
|---|---|
| SMILES | CC1([C@@H](N2[C@H](S1(=O)=O)CC2=O)C(=O)N[C@@H](CCSC)C(=O)O)C |
Product Overview
(2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 (CAS 956247-08-8), with molecular formula C13H20N2O6S2 and molecular weight 364.08 g/mol. IUPAC: (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4λ6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-4-methylsulfanylbutanoic acid.
Chemical Property Profile of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4
Property Insights of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4
The XLogP value of -0.5571 indicates that (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-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 (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4. Following Lipinski's Rule of Five, (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 has 2 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 (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4?
The CAS number of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 is 956247-08-8.
What is the molecular formula of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4?
The molecular formula of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 is C13H20N2O6S2.
What is the molecular weight of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4?
The molecular weight of (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 is 364.08 g/mol.
Where can I buy (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4?
You can request a quote for (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-[[(2S,5R)-3,3-dimethyl-4,4,7-trioxo-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.