![(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile structure](/static/products/114/114926-02-2.png)
(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile
TL;DR: (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile (CAS 114926-02-2) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1aS,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene-6-carbonitrile
Also Known As: (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile, 2,2-Dimethyl-3,4-dihydro-3beta,4beta-epoxy-2H-1-benzopyran-6-carbonitrile, 2,2-Dimethyl-3,4-dihydro-3beta,4beta-epoxy-3-chromene-6-carbonitrile, (1aS)-2,2-Dimethyl-1abeta,7bbeta-dihydro-2H-oxireno[c][1]benzopyran-6-carbonitrile, (1aS,7bS)-1a,7b-Dihydro-2,2-dimethyl-2H-oxireno[c][1]benzopyran-6-carbonitrile
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.16918 |
| Topological Polar Surface Area | 45.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 473.00073 |
Chemical Identifiers
| CAS Number | 114926-02-2 |
|---|---|
| SMILES | CC1([C@@H]2[C@@H](O2)C3=C(O1)C=CC(=C3)C#N)C |
Product Overview
(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile (CAS 114926-02-2), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: (1aS,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene-6-carbonitrile.
Chemical Property Profile of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile
Property Insights of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile
The XLogP value of 2.16918 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile. With a topological polar surface area (TPSA) of 45.55 Ų, (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile has 0 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 (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile?
The CAS number of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile is 114926-02-2.
What is the molecular formula of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile?
The molecular formula of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile is C12H11NO2.
What is the molecular weight of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile?
The molecular weight of (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile is 201.08 g/mol.
Where can I buy (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile?
You can request a quote for (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.