2-氯乙基-2,4-二硝基苯基亚砜
TL;DR: 2-氯乙基-2,4-二硝基苯基亚砜 (CAS 5416-05-7) is a chemical compound with molecular formula C8H7ClN2O5S and molecular weight 277.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯乙基-2,4-二硝基苯基亚砜
1-(2-chloroethylsulfinyl)-2,4-dinitrobenzene
Also Known As: Sulfoxide,4-dinitrophenyl, 2-Chloroethyl 2,4-dinitrophenyl sulfoxide, Sulfoxide, 2-chloroethyl 2,4-dinitrophenyl, 1-[(2-chloroethyl)sulfinyl]-2,4-dinitrobenzene, 1-(2-chloroethylsulfinyl)-2,4-dinitrobenzene
| Molecular Formula | C8H7ClN2O5S |
|---|---|
| Molecular Weight | 277.98 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.9764 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 5416-05-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)CCCl |
| InChIKey | HTYNGAPVKVYOCO-UHFFFAOYSA-N |
Product Overview
2-氯乙基-2,4-二硝基苯基亚砜 (CAS 5416-05-7), with molecular formula C8H7ClN2O5S and molecular weight 277.98 g/mol. IUPAC: 1-(2-chloroethylsulfinyl)-2,4-dinitrobenzene.
Chemical Property Profile of 2-氯乙基-2,4-二硝基苯基亚砜
Property Insights of 2-氯乙基-2,4-二硝基苯基亚砜
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯乙基-2,4-二硝基苯基亚砜. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氯乙基-2,4-二硝基苯基亚砜. Following Lipinski's Rule of Five, 2-氯乙基-2,4-二硝基苯基亚砜 has 0 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-氯乙基-2,4-二硝基苯基亚砜?
The CAS number of 2-氯乙基-2,4-二硝基苯基亚砜 is 5416-05-7.
What is the molecular formula of 2-氯乙基-2,4-二硝基苯基亚砜?
The molecular formula of 2-氯乙基-2,4-二硝基苯基亚砜 is C8H7ClN2O5S.
What is the molecular weight of 2-氯乙基-2,4-二硝基苯基亚砜?
The molecular weight of 2-氯乙基-2,4-二硝基苯基亚砜 is 277.98 g/mol.
Where can I buy 2-氯乙基-2,4-二硝基苯基亚砜?
You can request a quote for 2-氯乙基-2,4-二硝基苯基亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯乙基-2,4-二硝基苯基亚砜?
Yes, KEHONG BIO provides custom synthesis services for 2-氯乙基-2,4-二硝基苯基亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.