![(R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid structure](/static/products/956/956691-45-5.png)
(R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid
TL;DR: (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid (CAS 956691-45-5) is a chemical compound with molecular formula C23H27NO6S and molecular weight 445.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanylpropanoic acid
Also Known As: (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid, (2R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanylpropanoic acid, N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-S-methyl-L-cysteine
| Molecular Formula | C23H27NO6S |
|---|---|
| Molecular Weight | 445.16 g/mol |
| LogP | 3.92844 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.1559 |
| Heavy Atoms | 31 |
| Complexity | 1231.0426 |
Chemical Identifiers
| CAS Number | 956691-45-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=CO3)C(C)(C)C)C)CC(=O)N[C@@H](CSC)C(=O)O |
Product Overview
(R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid (CAS 956691-45-5), with molecular formula C23H27NO6S and molecular weight 445.16 g/mol. IUPAC: (2R)-2-[[2-(3-tert-butyl-5,9-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]-3-methylsulfanylpropanoic acid.
Chemical Property Profile of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid
Property Insights of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid
The XLogP value of 3.92844 indicates that (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid. Following Lipinski's Rule of Five, (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic 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 (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid?
The CAS number of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid is 956691-45-5.
What is the molecular formula of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid?
The molecular formula of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid is C23H27NO6S.
What is the molecular weight of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid?
The molecular weight of (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid is 445.16 g/mol.
Where can I buy (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid?
You can request a quote for (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (R)-2-(2-(3-(tert-butyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetamido)-3-(methylthio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.