ChemDiv1_028827
TL;DR: ChemDiv1_028827 (CAS 383894-56-2) is a chemical compound with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: ChemDiv1_028827, 2-((4-(benzo[d][1,3]dioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide, 2-{[4-(2H-1,3-benzodioxol-5-yl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide, F1155-0184, 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C23H21N3O5S |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.12018 |
| Heavy Atoms | 32 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 383894-56-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C#N |
| InChIKey | ZUHSVHUZYLIAEF-UHFFFAOYSA-N |
Product Overview
ChemDiv1_028827 (CAS 383894-56-2), with molecular formula C23H21N3O5S and molecular weight 451.12 g/mol. IUPAC: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_028827
Property Insights of ChemDiv1_028827
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_028827. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028827. Following Lipinski's Rule of Five, ChemDiv1_028827 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 ChemDiv1_028827?
The CAS number of ChemDiv1_028827 is 383894-56-2.
What is the molecular formula of ChemDiv1_028827?
The molecular formula of ChemDiv1_028827 is C23H21N3O5S.
What is the molecular weight of ChemDiv1_028827?
The molecular weight of ChemDiv1_028827 is 451.12 g/mol.
Where can I buy ChemDiv1_028827?
You can request a quote for ChemDiv1_028827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028827?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.