methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
TL;DR: methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 478249-85-3) is a chemical compound with molecular formula C18H17NO4 and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
Also Known As: Bionet2_001241, methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate, methyl 3-(4-hydroxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanoate, 9R-0625, methyl 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate
| Molecular Formula | C18H17NO4 |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 2.6524 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.11575 |
| Heavy Atoms | 23 |
| Complexity | 738.9417 |
Chemical Identifiers
| CAS Number | 478249-85-3 |
|---|---|
| SMILES | COC(=O)CC(C1=CC=C(C=C1)O)N2CC3=CC=CC=C3C2=O |
Product Overview
methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate (CAS 478249-85-3), with molecular formula C18H17NO4 and molecular weight 311.12 g/mol. IUPAC: methyl 3-(4-hydroxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate.
Chemical Property Profile of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
Property Insights of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
The XLogP value of 2.6524 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate has 1 hydrogen bond donor(s) and 4 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 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The CAS number of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is 478249-85-3.
What is the molecular formula of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The molecular formula of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is C18H17NO4.
What is the molecular weight of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
The molecular weight of methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate is 311.12 g/mol.
Where can I buy methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
You can request a quote for methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(4-hydroxyphenyl)-3-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.