![2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile structure](/static/products/7173/71734-87-7.webp)
2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile
TL;DR: 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile (CAS 71734-87-7) is a chemical compound with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile
Also Known As: 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile, N-(2-Cyanocyclohex-1-en-1-yl)-2,3-O-(1-methylethylidene)pentofuranosylamine, 2-[[4-(hydroxymethyl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]amino]cyclohexene-1-carbonitrile
| Molecular Formula | C15H22N2O4 |
|---|---|
| Molecular Weight | 294.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 83.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.15796 |
| Heavy Atoms | 21 |
| Complexity | 493.0 |
Chemical Identifiers
| CAS Number | 71734-87-7 |
|---|---|
| SMILES | CC1(OC2C(OC(C2O1)NC3=C(CCCC3)C#N)CO)C |
| InChIKey | DBUAFJMAALLMBQ-UHFFFAOYSA-N |
Product Overview
2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile (CAS 71734-87-7), with molecular formula C15H22N2O4 and molecular weight 294.16 g/mol. IUPAC: 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile.
Chemical Property Profile of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile
Property Insights of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile. The TPSA of 83.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile. Following Lipinski's Rule of Five, 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile has 2 hydrogen bond donor(s) and 6 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-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile?
The CAS number of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile is 71734-87-7.
What is the molecular formula of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile?
The molecular formula of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile is C15H22N2O4.
What is the molecular weight of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile?
The molecular weight of 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile is 294.16 g/mol.
Where can I buy 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile?
You can request a quote for 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]amino]cyclohexene-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.