![(S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid structure](/static/products/956/956664-80-5.png)
(S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid
TL;DR: (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid (CAS 956664-80-5) is a chemical compound with molecular formula C26H31NO6 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid
Also Known As: (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid, (2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid, (2S)-2-{[3-(4,11-DIMETHYL-2-OXO-6,7,8,9-TETRAHYDRO-2H-[1]BENZOFURO[3,2-G]CHROMEN-3-YL)PROPANOYL]AMINO}-4-METHYLPENTANOIC ACID
| Molecular Formula | C26H31NO6 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | 4.58294 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.21515 |
| Heavy Atoms | 33 |
| Complexity | 1296.074 |
Chemical Identifiers
| CAS Number | 956664-80-5 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C(C3=C(C=C12)C4=C(O3)CCCC4)C)CCC(=O)N[C@@H](CC(C)C)C(=O)O |
Product Overview
(S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid (CAS 956664-80-5), with molecular formula C26H31NO6 and molecular weight 453.22 g/mol. IUPAC: (2S)-2-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methylpentanoic acid.
Chemical Property Profile of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid
Property Insights of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid
The XLogP value of 4.58294 indicates that (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic 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-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid. Following Lipinski's Rule of Five, (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic 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-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid?
The CAS number of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid is 956664-80-5.
What is the molecular formula of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid?
The molecular formula of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid is C26H31NO6.
What is the molecular weight of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid?
The molecular weight of (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid is 453.22 g/mol.
Where can I buy (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid?
You can request a quote for (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic 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-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)-4-methylpentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.