BAS 00579791
TL;DR: BAS 00579791 (CAS 59903-01-4) is a chemical compound with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
Also Known As: BAS 00579791, BIM-0032747.P001, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanamide, N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide, N-(3,4-dimethoxyphenethyl)-3-(1,3-dioxoisoindolin-2-yl)propanamide
| Molecular Formula | C21H22N2O5 |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.15286 |
| Heavy Atoms | 28 |
| Complexity | 557.0 |
Chemical Identifiers
| CAS Number | 59903-01-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)OC |
| InChIKey | OMGHIHUPCLYGIL-UHFFFAOYSA-N |
Product Overview
BAS 00579791 (CAS 59903-01-4), with molecular formula C21H22N2O5 and molecular weight 382.15 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
Chemical Property Profile of BAS 00579791
Property Insights of BAS 00579791
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00579791. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00579791. Following Lipinski's Rule of Five, BAS 00579791 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 BAS 00579791?
The CAS number of BAS 00579791 is 59903-01-4.
What is the molecular formula of BAS 00579791?
The molecular formula of BAS 00579791 is C21H22N2O5.
What is the molecular weight of BAS 00579791?
The molecular weight of BAS 00579791 is 382.15 g/mol.
Where can I buy BAS 00579791?
You can request a quote for BAS 00579791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00579791?
Yes, KEHONG BIO provides custom synthesis services for BAS 00579791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.