![methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate structure](/static/products/7095/70951-80-3.webp)
methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
TL;DR: methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate (CAS 70951-80-3) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[bis(2-hydroxyethyl)amino]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate, methyl 3-[3-[bis(2-hydroxyethyl)amino]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanoate, 2H-Isoindole-2-propanoicacid, b-[3-[bis(2-hydroxyethyl)amino]phenyl]-1,3-dihydro-1,3-dioxo-,methyl ester
| Molecular Formula | C22H24N2O6 |
|---|---|
| Molecular Weight | 412.16 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 412.16342 |
| Heavy Atoms | 30 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 70951-80-3 |
|---|---|
| SMILES | COC(=O)CC(C1=CC(=CC=C1)N(CCO)CCO)N2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | GEXNVOUUEDPBBK-UHFFFAOYSA-N |
Product Overview
methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate (CAS 70951-80-3), with molecular formula C22H24N2O6 and molecular weight 412.16 g/mol. IUPAC: methyl 3-[3-[bis(2-hydroxyethyl)amino]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
Property Insights of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate has 2 hydrogen bond donor(s) and 7 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-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
The CAS number of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate is 70951-80-3.
What is the molecular formula of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
The molecular formula of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate is C22H24N2O6.
What is the molecular weight of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
The molecular weight of methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate is 412.16 g/mol.
Where can I buy methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
You can request a quote for methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-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-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-{3-[bis(2-hydroxyethyl)amino]phenyl}-3-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.