3-Furancarbonitrile, 2,5-dimethyl-
TL;DR: 3-Furancarbonitrile, 2,5-dimethyl- (CAS 89149-69-9) is a chemical compound with molecular formula C7H7NO and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylfuran-3-carbonitrile
Also Known As: 2,5-dimethylfuran-3-carbonitrile, 3-furancarbonitrile, 2,5-dimethyl-, 2,5-dimethyl-3-furonitrile, 2,5-dimethyl-furan-3-carbonitrile, RefChem:279584
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 121.052765 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 89149-69-9 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)C#N |
| InChIKey | HNZSIJYEHRTXHF-UHFFFAOYSA-N |
Product Overview
3-Furancarbonitrile, 2,5-dimethyl- (CAS 89149-69-9), with molecular formula C7H7NO and molecular weight 121.05 g/mol. IUPAC: 2,5-dimethylfuran-3-carbonitrile.
Chemical Property Profile of 3-Furancarbonitrile, 2,5-dimethyl-
Property Insights of 3-Furancarbonitrile, 2,5-dimethyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Furancarbonitrile, 2,5-dimethyl-. With a topological polar surface area (TPSA) of 36.9 Ų, 3-Furancarbonitrile, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Furancarbonitrile, 2,5-dimethyl- 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 3-Furancarbonitrile, 2,5-dimethyl-?
The CAS number of 3-Furancarbonitrile, 2,5-dimethyl- is 89149-69-9.
What is the molecular formula of 3-Furancarbonitrile, 2,5-dimethyl-?
The molecular formula of 3-Furancarbonitrile, 2,5-dimethyl- is C7H7NO.
What is the molecular weight of 3-Furancarbonitrile, 2,5-dimethyl-?
The molecular weight of 3-Furancarbonitrile, 2,5-dimethyl- is 121.05 g/mol.
Where can I buy 3-Furancarbonitrile, 2,5-dimethyl-?
You can request a quote for 3-Furancarbonitrile, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Furancarbonitrile, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Furancarbonitrile, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.