![(2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid structure](/static/products/554/554433-70-4.png)
(2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid
TL;DR: (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid (CAS 554433-70-4) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]pentanoic acid
Also Known As: (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid, N-[2-[(7,8,9,10-tetrahydro-6-oxo-6h-dibenzo[b,d]pyran-3-yl)oxy]acetyl]isoleucine, N-{[(6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine, (2S,3S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]pentanoic acid
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 2.6661 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 947.79675 |
Chemical Identifiers
| CAS Number | 554433-70-4 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=C(CCCC3)C(=O)O2 |
Product Overview
(2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid (CAS 554433-70-4), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: (2S,3S)-3-methyl-2-[[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]amino]pentanoic acid.
Chemical Property Profile of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid
Property Insights of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid
The XLogP value of 2.6661 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid. Following Lipinski's Rule of Five, (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)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,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid?
The CAS number of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid is 554433-70-4.
What is the molecular formula of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid?
The molecular formula of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid is C21H25NO6.
What is the molecular weight of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid?
The molecular weight of (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid is 387.17 g/mol.
Where can I buy (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid?
You can request a quote for (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)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,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,3S)-3-methyl-2-(2-((6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.