3-癸氧基丙腈
TL;DR: 3-癸氧基丙腈 (CAS 17046-34-3) is a chemical compound with molecular formula C9H5Cl2NOS2 and molecular weight 276.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-癸氧基丙腈
3-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: Rodanin, 3-Decoxypropanenitrile, Rhodanine, 3-(3,4-dichlorophenyl)-, 3-(3,4-Dichlorophenyl)rhodanine, 3-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C9H5Cl2NOS2 |
|---|---|
| Molecular Weight | 276.92 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 77.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.91898 |
| Heavy Atoms | 15 |
| Complexity | 300.0 |
| Solubility | <0.6 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 17046-34-3 |
|---|---|
| SMILES | C1C(=O)N(C(=S)S1)C2=CC(=C(C=C2)Cl)Cl |
| InChIKey | NXAFOZVLSPGZQH-UHFFFAOYSA-N |
Product Overview
3-癸氧基丙腈 (CAS 17046-34-3), with molecular formula C9H5Cl2NOS2 and molecular weight 276.92 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-癸氧基丙腈
Property Insights of 3-癸氧基丙腈
The XLogP value of 3.7 indicates that 3-癸氧基丙腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-癸氧基丙腈. Following Lipinski's Rule of Five, 3-癸氧基丙腈 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 3-癸氧基丙腈?
The CAS number of 3-癸氧基丙腈 is 17046-34-3.
What is the molecular formula of 3-癸氧基丙腈?
The molecular formula of 3-癸氧基丙腈 is C9H5Cl2NOS2.
What is the molecular weight of 3-癸氧基丙腈?
The molecular weight of 3-癸氧基丙腈 is 276.92 g/mol.
Where can I buy 3-癸氧基丙腈?
You can request a quote for 3-癸氧基丙腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-癸氧基丙腈?
Yes, KEHONG BIO provides custom synthesis services for 3-癸氧基丙腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.