AB00676256-01
TL;DR: AB00676256-01 (CAS 868680-07-3) is a chemical compound with molecular formula C16H12N2O7 and molecular weight 344.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
Also Known As: AB00676256-01, F1826-0086, (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate, (E)-6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl 3-(benzo[d][1,3]dioxol-5-yl)acrylate, 6-methyl-3-nitro-2-oxo-1,2-dihydropyridin-4-yl (2E)-3-(2H-1,3-benzodioxol-5-yl)prop-2-enoate
| Molecular Formula | C16H12N2O7 |
|---|---|
| Molecular Weight | 344.06 g/mol |
| LogP | 1.93902 |
| Topological Polar Surface Area | 120.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.06445 |
| Heavy Atoms | 25 |
| Complexity | 945.9848 |
Chemical Identifiers
| CAS Number | 868680-07-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)/C=C/C2=CC3=C(C=C2)OCO3 |
Product Overview
AB00676256-01 (CAS 868680-07-3), with molecular formula C16H12N2O7 and molecular weight 344.06 g/mol. IUPAC: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate.
Chemical Property Profile of AB00676256-01
Property Insights of AB00676256-01
The XLogP value of 1.93902 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676256-01. The TPSA of 120.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676256-01. Following Lipinski's Rule of Five, AB00676256-01 has 1 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 AB00676256-01?
The CAS number of AB00676256-01 is 868680-07-3.
What is the molecular formula of AB00676256-01?
The molecular formula of AB00676256-01 is C16H12N2O7.
What is the molecular weight of AB00676256-01?
The molecular weight of AB00676256-01 is 344.06 g/mol.
Where can I buy AB00676256-01?
You can request a quote for AB00676256-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676256-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676256-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.