![(S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid structure](/static/products/956/956739-53-0.png)
(S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid
TL;DR: (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid (CAS 956739-53-0) is a chemical compound with molecular formula C28H27NO6 and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-phenylpropanoic acid
Also Known As: (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid, (2S)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-phenylpropanoic acid, N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-L-phenylalanine
| Molecular Formula | C28H27NO6 |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 4.38944 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.18384 |
| Heavy Atoms | 35 |
| Complexity | 1512.0184 |
Chemical Identifiers
| CAS Number | 956739-53-0 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C4=C(O3)CCCC4)C)CC(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O |
Product Overview
(S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid (CAS 956739-53-0), with molecular formula C28H27NO6 and molecular weight 473.18 g/mol. IUPAC: (2S)-2-[[2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]amino]-3-phenylpropanoic acid.
Chemical Property Profile of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid
Property Insights of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid
The XLogP value of 4.38944 indicates that (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic 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 (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid 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 (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid?
The CAS number of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid is 956739-53-0.
What is the molecular formula of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid?
The molecular formula of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid is C28H27NO6.
What is the molecular weight of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid?
The molecular weight of (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid is 473.18 g/mol.
Where can I buy (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid?
You can request a quote for (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)acetamido)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.