6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile
TL;DR: 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile (CAS 111022-74-3) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile
Also Known As: 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.65948 |
| Topological Polar Surface Area | 51.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 514.1312 |
Chemical Identifiers
| CAS Number | 111022-74-3 |
|---|---|
| SMILES | CC1=CC2=CC(=C(C=C2C(O1)C#N)OC)OC |
Product Overview
6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile (CAS 111022-74-3), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile.
Chemical Property Profile of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile
Property Insights of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile
The XLogP value of 2.65948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile. With a topological polar surface area (TPSA) of 51.48 Ų, 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile has 0 hydrogen bond donor(s) and 4 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 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile?
The CAS number of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile is 111022-74-3.
What is the molecular formula of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile?
The molecular formula of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile is C13H13NO3.
What is the molecular weight of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile?
The molecular weight of 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile is 231.09 g/mol.
Where can I buy 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile?
You can request a quote for 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6,7-dimethoxy-3-methyl-1H-isochromene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.