十二烷基磺酰基乙腈
TL;DR: 十二烷基磺酰基乙腈 (CAS 52821-30-4) is a chemical compound with molecular formula C14H27NO2S and molecular weight 273.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
十二烷基磺酰基乙腈
2-dodecylsulfonylacetonitrile
Also Known As: (dodecylsulfonyl)acetonitrile, Acetonitrile, (dodecylsulfonyl)-, (Dodecylsulphonyl)acetonitrile, dodecylsulfonylacetonitrile, Acetonitrile, 2-(dodecylsulfonyl)-
| Molecular Formula | C14H27NO2S |
|---|---|
| Molecular Weight | 273.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 66.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 273.17624 |
| Heavy Atoms | 18 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 52821-30-4 |
|---|---|
| SMILES | CCCCCCCCCCCCS(=O)(=O)CC#N |
| InChIKey | BHYJQQBWODSXQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
十二烷基磺酰基乙腈 (CAS 52821-30-4), with molecular formula C14H27NO2S and molecular weight 273.18 g/mol. IUPAC: 2-dodecylsulfonylacetonitrile.
Chemical Property Profile of 十二烷基磺酰基乙腈
Property Insights of 十二烷基磺酰基乙腈
The XLogP value of 5.0 indicates that 十二烷基磺酰基乙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 十二烷基磺酰基乙腈. Following Lipinski's Rule of Five, 十二烷基磺酰基乙腈 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 十二烷基磺酰基乙腈?
The CAS number of 十二烷基磺酰基乙腈 is 52821-30-4.
What is the molecular formula of 十二烷基磺酰基乙腈?
The molecular formula of 十二烷基磺酰基乙腈 is C14H27NO2S.
What is the molecular weight of 十二烷基磺酰基乙腈?
The molecular weight of 十二烷基磺酰基乙腈 is 273.18 g/mol.
Where can I buy 十二烷基磺酰基乙腈?
You can request a quote for 十二烷基磺酰基乙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 十二烷基磺酰基乙腈?
Yes, KEHONG BIO provides custom synthesis services for 十二烷基磺酰基乙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.