![N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine structure](/static/products/956/956048-81-0.png)
N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine
TL;DR: N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine (CAS 956048-81-0) is a chemical compound with molecular formula C21H21NO6 and molecular weight 383.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
Also Known As: N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine, (2S,3R)-3-methyl-2-(2-((6-oxo-6H-benzo[c]chromen-3-yl)oxy)acetamido)pentanoic acid, (2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid
| Molecular Formula | C21H21NO6 |
|---|---|
| Molecular Weight | 383.14 g/mol |
| LogP | 2.9405 |
| Topological Polar Surface Area | 105.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.1369 |
| Heavy Atoms | 28 |
| Complexity | 1087.1337 |
Chemical Identifiers
| CAS Number | 956048-81-0 |
|---|---|
| SMILES | CC[C@@H](C)[C@@H](C(=O)O)NC(=O)COC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2 |
Product Overview
N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine (CAS 956048-81-0), with molecular formula C21H21NO6 and molecular weight 383.14 g/mol. IUPAC: (2S,3R)-3-methyl-2-[[2-(6-oxobenzo[c]chromen-3-yl)oxyacetyl]amino]pentanoic acid.
Chemical Property Profile of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine
Property Insights of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine
The XLogP value of 2.9405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine. The TPSA of 105.84 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine. Following Lipinski's Rule of Five, N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine 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 N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine?
The CAS number of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine is 956048-81-0.
What is the molecular formula of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine?
The molecular formula of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine is C21H21NO6.
What is the molecular weight of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine?
The molecular weight of N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine is 383.14 g/mol.
Where can I buy N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine?
You can request a quote for N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine?
Yes, KEHONG BIO provides custom synthesis services for N-{[(6-oxo-6H-benzo[c]chromen-3-yl)oxy]acetyl}-L-isoleucine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.