![(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid structure](/static/products/956/956040-76-9.png)
(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
TL;DR: (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid (CAS 956040-76-9) is a chemical compound with molecular formula C25H29NO6 and molecular weight 439.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
Also Known As: (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid, (S)-4-methyl-2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)pentanoic acid, (2S)-2-[3-(2-keto-4-methyl-6,7,8,9-tetrahydrobenzofuro[3,2-g]chromen-3-yl)propanoylamino]-4-methyl-valeric acid, (2S)-4-methyl-2-[[3-(4-methyl-2-oxo-6,7,8,9-tetrahydrobenzofuro[3,2-g][1]benzopyran-3-yl)-1-oxopropyl]amino]pentanoic acid, (2S)-4-methyl-2-[3-(4-methyl-2-oxidanylidene-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
| Molecular Formula | C25H29NO6 |
|---|---|
| Molecular Weight | 439.20 g/mol |
| LogP | 4.27452 |
| Topological Polar Surface Area | 109.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 439.1995 |
| Heavy Atoms | 32 |
| Complexity | 1249.0142 |
Chemical Identifiers
| CAS Number | 956040-76-9 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=CC3=C(C=C12)C4=C(O3)CCCC4)CCC(=O)N[C@@H](CC(C)C)C(=O)O |
Product Overview
(2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid (CAS 956040-76-9), with molecular formula C25H29NO6 and molecular weight 439.20 g/mol. IUPAC: (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid.
Chemical Property Profile of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
Property Insights of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid
The XLogP value of 4.27452 indicates that (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic 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 (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid. Following Lipinski's Rule of Five, (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic 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 (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid?
The CAS number of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid is 956040-76-9.
What is the molecular formula of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid?
The molecular formula of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid is C25H29NO6.
What is the molecular weight of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid?
The molecular weight of (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid is 439.20 g/mol.
Where can I buy (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid?
You can request a quote for (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic 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-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-methyl-2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.