2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
TL;DR: 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- (CAS 38236-38-3) is a chemical compound with molecular formula C20H14N4O7 and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) (2S)-6-diazo-2-(1,3-dioxoisoindol-2-yl)-5-oxohexanoate
Also Known As: 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-, (Z,5S)-1-diazonio-5-(1,3-dioxoisoindol-2-yl)-6-(4-nitrophenoxy)-6-oxohex-1-en-2-olate, (Z,5S)-1-diazonio-5-(1,3-dioxoisoindol-2-yl)-5-(4-nitrophenoxy)carbonyl-pent-1-en-2-olate, 2H-Isoindole-2-acetic acid, .alpha.-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
| Molecular Formula | C20H14N4O7 |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 422.08624 |
| Heavy Atoms | 31 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 38236-38-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)[C@@H](CCC(=O)C=[N+]=[N-])C(=O)OC3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | FMEFUKYZIBICGY-KRWDZBQOSA-N |
Product Overview
2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- (CAS 38236-38-3), with molecular formula C20H14N4O7 and molecular weight 422.09 g/mol. IUPAC: (4-nitrophenyl) (2S)-6-diazo-2-(1,3-dioxoisoindol-2-yl)-5-oxohexanoate.
Chemical Property Profile of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
Property Insights of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-. Following Lipinski's Rule of Five, 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- has 0 hydrogen bond donor(s) and 8 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 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-?
The CAS number of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- is 38236-38-3.
What is the molecular formula of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-?
The molecular formula of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- is C20H14N4O7.
What is the molecular weight of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-?
The molecular weight of 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- is 422.09 g/mol.
Where can I buy 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-?
You can request a quote for 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Isoindole-2-acetic acid, alpha-(4-diazo-3-oxobutyl)-1,3-dihydro-1,3-dioxo-, 4-nitrophenyl ester, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.