N-Formyl-1,2-dihydrorenierone
TL;DR: N-Formyl-1,2-dihydrorenierone (CAS 97581-08-3) is a chemical compound with molecular formula C18H19NO6 and molecular weight 345.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
Also Known As: FDHR, N-Formyl-1,2-dihydrorenierone, VRZJVUPPQWDFAC-YHYXMXQVSA-, J1.985.674G, (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate
| Molecular Formula | C18H19NO6 |
|---|---|
| Molecular Weight | 345.12 g/mol |
| LogP | 1.2189 |
| Topological Polar Surface Area | 89.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.12125 |
| Heavy Atoms | 25 |
| Complexity | 768.4358 |
Chemical Identifiers
| CAS Number | 97581-08-3 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OCC1C2=C(C=CN1C=O)C(=O)C(=C(C2=O)OC)C |
Product Overview
N-Formyl-1,2-dihydrorenierone (CAS 97581-08-3), with molecular formula C18H19NO6 and molecular weight 345.12 g/mol. IUPAC: (2-formyl-7-methoxy-6-methyl-5,8-dioxo-1H-isoquinolin-1-yl)methyl (Z)-2-methylbut-2-enoate.
Chemical Property Profile of N-Formyl-1,2-dihydrorenierone
Property Insights of N-Formyl-1,2-dihydrorenierone
The XLogP value of 1.2189 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Formyl-1,2-dihydrorenierone. The TPSA of 89.98 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Formyl-1,2-dihydrorenierone. Following Lipinski's Rule of Five, N-Formyl-1,2-dihydrorenierone has 0 hydrogen bond donor(s) and 6 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 N-Formyl-1,2-dihydrorenierone?
The CAS number of N-Formyl-1,2-dihydrorenierone is 97581-08-3.
What is the molecular formula of N-Formyl-1,2-dihydrorenierone?
The molecular formula of N-Formyl-1,2-dihydrorenierone is C18H19NO6.
What is the molecular weight of N-Formyl-1,2-dihydrorenierone?
The molecular weight of N-Formyl-1,2-dihydrorenierone is 345.12 g/mol.
Where can I buy N-Formyl-1,2-dihydrorenierone?
You can request a quote for N-Formyl-1,2-dihydrorenierone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Formyl-1,2-dihydrorenierone?
Yes, KEHONG BIO provides custom synthesis services for N-Formyl-1,2-dihydrorenierone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.