2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide
TL;DR: 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide (CAS 445463-20-7) is a chemical compound with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetohydrazide
Also Known As: 2-cyano-N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetohydrazide, 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetohydrazide, 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide
| Molecular Formula | C13H13N3O5 |
|---|---|
| Molecular Weight | 291.09 g/mol |
| LogP | 0.40728 |
| Topological Polar Surface Area | 109.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 291.0855 |
| Heavy Atoms | 21 |
| Complexity | 622.96814 |
Chemical Identifiers
| CAS Number | 445463-20-7 |
|---|---|
| SMILES | COC1=C(C2=C(C=C1)C(OC2=O)NNC(=O)CC#N)OC |
Product Overview
2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide (CAS 445463-20-7), with molecular formula C13H13N3O5 and molecular weight 291.09 g/mol. IUPAC: 2-cyano-N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)acetohydrazide.
Chemical Property Profile of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide
Property Insights of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide
The XLogP value of 0.40728 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide. The TPSA of 109.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide. Following Lipinski's Rule of Five, 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide 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 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide?
The CAS number of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide is 445463-20-7.
What is the molecular formula of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide?
The molecular formula of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide is C13H13N3O5.
What is the molecular weight of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide?
The molecular weight of 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide is 291.09 g/mol.
Where can I buy 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide?
You can request a quote for 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-cyano-N'-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.