2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
TL;DR: 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile (CAS 33143-29-2) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylchromene-6-carbonitrile
Also Known As: 2,2-dimethyl-2H-chromene-6-carbonitrile, 2,2-dimethylchromene-6-carbonitrile, 2,2-diMeBCN, Maybridge1_004898, 6-Cyano-2,2-dimethyl-2H-chromene
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.74248 |
| Topological Polar Surface Area | 33.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 438.1252 |
Chemical Identifiers
| CAS Number | 33143-29-2 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC(=C2)C#N)C |
Product Overview
2,2-dimethyl-2H-1-benzopyran-6-carbonitrile (CAS 33143-29-2), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: 2,2-dimethylchromene-6-carbonitrile.
Chemical Property Profile of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
Property Insights of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile
The XLogP value of 2.74248 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile. With a topological polar surface area (TPSA) of 33.02 Ų, 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile has 0 hydrogen bond donor(s) and 2 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 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile?
The CAS number of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile is 33143-29-2.
What is the molecular formula of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile?
The molecular formula of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile is C12H11NO.
What is the molecular weight of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile?
The molecular weight of 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile is 185.08 g/mol.
Where can I buy 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile?
You can request a quote for 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2-dimethyl-2H-1-benzopyran-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.