硫氰酸鐵
TL;DR: 硫氰酸鐵 (CAS 4119-52-2) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫氰酸鐵
2-[N-(2-chloroethyl)anilino]ethyl 2-chloroacetate
Also Known As: N-(2-Chloroacetoxyethyl)-N-(2-chloroethyl)aniline, Ethanol, 2-(N-(2-chloroethyl)anilino)-, chloroacetate, 2-(N-(2-Chloroethyl)anilino)ethanol chloroacetate, 2-[(2-chloroethyl)(phenyl)amino]ethyl chloroacetate, 2-[N-(2-chloroethyl)anilino]ethyl 2-chloroacetate
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 4119-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N(CCOC(=O)CCl)CCCl |
| InChIKey | KNJBXNOCIUEZEW-UHFFFAOYSA-N |
Product Overview
硫氰酸鐵 (CAS 4119-52-2), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: 2-[N-(2-chloroethyl)anilino]ethyl 2-chloroacetate.
Chemical Property Profile of 硫氰酸鐵
Property Insights of 硫氰酸鐵
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫氰酸鐵. With a topological polar surface area (TPSA) of 29.5 Ų, 硫氰酸鐵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫氰酸鐵 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 硫氰酸鐵?
The CAS number of 硫氰酸鐵 is 4119-52-2.
What is the molecular formula of 硫氰酸鐵?
The molecular formula of 硫氰酸鐵 is C12H15Cl2NO2.
What is the molecular weight of 硫氰酸鐵?
The molecular weight of 硫氰酸鐵 is 275.05 g/mol.
Where can I buy 硫氰酸鐵?
You can request a quote for 硫氰酸鐵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫氰酸鐵?
Yes, KEHONG BIO provides custom synthesis services for 硫氰酸鐵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.