(S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
TL;DR: (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide (CAS 302776-82-5) is a chemical compound with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide
Also Known As: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide, (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
| Molecular Formula | C27H26N2O5 |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 3.27 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.18417 |
| Heavy Atoms | 34 |
| Complexity | 1173.6521 |
Chemical Identifiers
| CAS Number | 302776-82-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)[C@H](CC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)OC |
Product Overview
(S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide (CAS 302776-82-5), with molecular formula C27H26N2O5 and molecular weight 458.18 g/mol. IUPAC: (2S)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide.
Chemical Property Profile of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
Property Insights of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide
The XLogP value of 3.27 indicates that (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide 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 (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide?
The CAS number of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide is 302776-82-5.
What is the molecular formula of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide?
The molecular formula of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide is C27H26N2O5.
What is the molecular weight of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide?
The molecular weight of (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide is 458.18 g/mol.
Where can I buy (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide?
You can request a quote for (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(3,4-dimethoxyphenethyl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.