![(2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid structure](/static/products/956/956705-22-9.png)
(2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid
TL;DR: (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid (CAS 956705-22-9) is a chemical compound with molecular formula C22H25NO7S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
Also Known As: (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid, (2S)-4-(methylsulfinyl)-2-{[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}butanoic acid, (2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid
| Molecular Formula | C22H25NO7S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 2.73506 |
| Topological Polar Surface Area | 126.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.13516 |
| Heavy Atoms | 31 |
| Complexity | 1254.4414 |
Chemical Identifiers
| CAS Number | 956705-22-9 |
|---|---|
| SMILES | CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)N[C@@H](CCS(=O)C)C(=O)O)C)C |
Product Overview
(2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid (CAS 956705-22-9), with molecular formula C22H25NO7S and molecular weight 447.14 g/mol. IUPAC: (2S)-4-methylsulfinyl-2-[3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]butanoic acid.
Chemical Property Profile of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid
Property Insights of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid
The XLogP value of 2.73506 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid. The TPSA of 126.82 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid. Following Lipinski's Rule of Five, (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid 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)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid?
The CAS number of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid is 956705-22-9.
What is the molecular formula of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid?
The molecular formula of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid is C22H25NO7S.
What is the molecular weight of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid?
The molecular weight of (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid is 447.14 g/mol.
Where can I buy (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid?
You can request a quote for (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-(methylsulfinyl)-2-(3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.