二氢咖啡酰甲基酰胺醌
TL;DR: 二氢咖啡酰甲基酰胺醌 (CAS 124763-47-9) is a chemical compound with molecular formula C10H11NO3 and molecular weight 193.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢咖啡酰甲基酰胺醌
3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-N-methylpropanamide
Also Known As: Dhcma quinone, Dihydrocaffeiyl methyl amide quinone, 3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-N-methylpropanamide, 1,5-Cyclohexadiene-1-propanamide, N-methyl-3,4-dioxo-, RefChem:133743
| Molecular Formula | C10H11NO3 |
|---|---|
| Molecular Weight | 193.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.0739 |
| Heavy Atoms | 14 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 124763-47-9 |
|---|---|
| SMILES | CNC(=O)CCC1=CC(=O)C(=O)C=C1 |
| InChIKey | ROMNYSICMVINQQ-UHFFFAOYSA-N |
Product Overview
二氢咖啡酰甲基酰胺醌 (CAS 124763-47-9), with molecular formula C10H11NO3 and molecular weight 193.07 g/mol. IUPAC: 3-(3,4-dioxocyclohexa-1,5-dien-1-yl)-N-methylpropanamide.
Chemical Property Profile of 二氢咖啡酰甲基酰胺醌
Property Insights of 二氢咖啡酰甲基酰胺醌
The XLogP value of -0.6 indicates that 二氢咖啡酰甲基酰胺醌 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 二氢咖啡酰甲基酰胺醌. Following Lipinski's Rule of Five, 二氢咖啡酰甲基酰胺醌 has 1 hydrogen bond donor(s) and 3 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 二氢咖啡酰甲基酰胺醌?
The CAS number of 二氢咖啡酰甲基酰胺醌 is 124763-47-9.
What is the molecular formula of 二氢咖啡酰甲基酰胺醌?
The molecular formula of 二氢咖啡酰甲基酰胺醌 is C10H11NO3.
What is the molecular weight of 二氢咖啡酰甲基酰胺醌?
The molecular weight of 二氢咖啡酰甲基酰胺醌 is 193.07 g/mol.
Where can I buy 二氢咖啡酰甲基酰胺醌?
You can request a quote for 二氢咖啡酰甲基酰胺醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢咖啡酰甲基酰胺醌?
Yes, KEHONG BIO provides custom synthesis services for 二氢咖啡酰甲基酰胺醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.