Einecs 274-314-3
TL;DR: Einecs 274-314-3 (CAS 70096-14-9) is a chemical compound with molecular formula C24H30N2O7 and molecular weight 458.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butanedioic acid;3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one
Also Known As: Nofedone, (R*,S*)-(+/-)-2,3-dihydro-3-[2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-1H-isoindol-1-one fumarate, (R*,S*)-(1)-2,3-Dihydro-3-(2-hydroxy-3-(isopropylamino)propoxy)-2-phenyl-1H-isoindol-1-one fumarate, butanedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one, (R*,S*)-(+-)-2,3-dihydro-3-[2-hydroxy-3-(isopropylamino)propoxy]-2-phenyl-1H-isoindol-1-one fumarate
| Molecular Formula | C24H30N2O7 |
|---|---|
| Molecular Weight | 458.21 g/mol |
| LogP | 2.66 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 458.2053 |
| Heavy Atoms | 33 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 70096-14-9 |
|---|---|
| SMILES | CC(C)NCC(COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O.C(CC(=O)O)C(=O)O |
| InChIKey | YTFSIJBIBVOXOB-UHFFFAOYSA-N |
Product Overview
Einecs 274-314-3 (CAS 70096-14-9), with molecular formula C24H30N2O7 and molecular weight 458.21 g/mol. IUPAC: butanedioic acid;3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one.
Chemical Property Profile of Einecs 274-314-3
Property Insights of Einecs 274-314-3
The XLogP value of 2.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 274-314-3. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Einecs 274-314-3. Following Lipinski's Rule of Five, Einecs 274-314-3 has 4 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 Einecs 274-314-3?
The CAS number of Einecs 274-314-3 is 70096-14-9.
What is the molecular formula of Einecs 274-314-3?
The molecular formula of Einecs 274-314-3 is C24H30N2O7.
What is the molecular weight of Einecs 274-314-3?
The molecular weight of Einecs 274-314-3 is 458.21 g/mol.
Where can I buy Einecs 274-314-3?
You can request a quote for Einecs 274-314-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 274-314-3?
Yes, KEHONG BIO provides custom synthesis services for Einecs 274-314-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.