1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
TL;DR: 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile (CAS 56069-44-4) is a chemical compound with molecular formula C21H23NO6S and molecular weight 417.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
Also Known As: 1-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile, 1-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane, 2,2,3,3-tetramethoxy-4-phenyl-1-(phenylsulfonyl)cyclobutanecarbonitrile, CYCLOBUTANECARBONITRILE,2,2,3,3-TETRAMETHOXY-4-PHENYL-1-(PHENYLSULFONYL)-
| Molecular Formula | C21H23NO6S |
|---|---|
| Molecular Weight | 417.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 417.1246 |
| Heavy Atoms | 29 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 56069-44-4 |
|---|---|
| SMILES | COC1(C(C(C1(OC)OC)(C#N)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC |
| InChIKey | MOWLZXOQWIAMHZ-UHFFFAOYSA-N |
Product Overview
1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile (CAS 56069-44-4), with molecular formula C21H23NO6S and molecular weight 417.12 g/mol. IUPAC: 1-(benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile.
Chemical Property Profile of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
Property Insights of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile has 0 hydrogen bond donor(s) and 7 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 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile?
The CAS number of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile is 56069-44-4.
What is the molecular formula of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile?
The molecular formula of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile is C21H23NO6S.
What is the molecular weight of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile?
The molecular weight of 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile is 417.12 g/mol.
Where can I buy 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile?
You can request a quote for 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzenesulfonyl)-2,2,3,3-tetramethoxy-4-phenylcyclobutane-1-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.