Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate
TL;DR: Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate (CAS 39739-07-6) is a chemical compound with molecular formula C12H11NO5 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate
Also Known As: methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate, N-phthaloylserine methyl ester, Methyl 2-(1,3-dioxoisoindolin-2-yl)-3-hydroxypropanoate, Methyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-hydroxypropanoate, Methyl2-(1,3-dioxoisoindolin-2-yl)-3-hydroxypropanoate
| Molecular Formula | C12H11NO5 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.06372 |
| Heavy Atoms | 18 |
| Complexity | 357.0 |
Chemical Identifiers
| CAS Number | 39739-07-6 |
|---|---|
| SMILES | COC(=O)C(CO)N1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | VLMFMOJAUYRNBB-UHFFFAOYSA-N |
Product Overview
Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate (CAS 39739-07-6), with molecular formula C12H11NO5 and molecular weight 249.06 g/mol. IUPAC: methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate.
Chemical Property Profile of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate
Property Insights of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate. Following Lipinski's Rule of Five, Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate has 1 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 Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate?
The CAS number of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate is 39739-07-6.
What is the molecular formula of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate?
The molecular formula of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate is C12H11NO5.
What is the molecular weight of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate?
The molecular weight of Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate is 249.06 g/mol.
Where can I buy Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate?
You can request a quote for Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(1,3-dioxoisoindol-2-yl)-3-hydroxypropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.