![(2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid structure](/static/products/956/956043-89-3.png)
(2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid
TL;DR: (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid (CAS 956043-89-3) is a chemical compound with molecular formula C27H32N2O7 and molecular weight 496.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid
Also Known As: (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid, (2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid, N-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)propanoyl]glycyl-L-isoleucine
| Molecular Formula | C27H32N2O7 |
|---|---|
| Molecular Weight | 496.22 g/mol |
| LogP | 3.39072 |
| Topological Polar Surface Area | 138.85 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.22095 |
| Heavy Atoms | 36 |
| Complexity | 1384.5118 |
Chemical Identifiers
| CAS Number | 956043-89-3 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CNC(=O)CCC1=C(C2=CC3=C(C=C2OC1=O)OC4=C3CCCC4)C |
Product Overview
(2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid (CAS 956043-89-3), with molecular formula C27H32N2O7 and molecular weight 496.22 g/mol. IUPAC: (2S,3R)-3-methyl-2-[[2-[3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)propanoylamino]acetyl]amino]pentanoic acid.
Chemical Property Profile of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid
Property Insights of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid
The XLogP value of 3.39072 indicates that (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid. Following Lipinski's Rule of Five, (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid has 3 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,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid?
The CAS number of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid is 956043-89-3.
What is the molecular formula of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid?
The molecular formula of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid is C27H32N2O7.
What is the molecular weight of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid?
The molecular weight of (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid is 496.22 g/mol.
Where can I buy (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid?
You can request a quote for (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)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,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-3-methyl-2-(2-(3-(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-benzofuro[3,2-g]chromen-3-yl)propanamido)acetamido)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.