(1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate
TL;DR: (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 95424-92-3) is a chemical compound with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: (1,3-dioxoisoindol-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate, (1,3-dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate, (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl N-[(benzyloxy)carbonyl]alaninate
| Molecular Formula | C20H18N2O6 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.1165 |
| Heavy Atoms | 28 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 95424-92-3 |
|---|---|
| SMILES | CC(C(=O)OCN1C(=O)C2=CC=CC=C2C1=O)NC(=O)OCC3=CC=CC=C3 |
| InChIKey | IVTNFOYXDKYBKS-UHFFFAOYSA-N |
Product Overview
(1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 95424-92-3), with molecular formula C20H18N2O6 and molecular weight 382.12 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl 2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate
Property Insights of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate has 1 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 (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate?
The CAS number of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate is 95424-92-3.
What is the molecular formula of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular formula of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate is C20H18N2O6.
What is the molecular weight of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate?
The molecular weight of (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate is 382.12 g/mol.
Where can I buy (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate?
You can request a quote for (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxoisoindolin-2-yl)methyl 2-(((benzyloxy)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.