![1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid structure](/static/products/1816/18162-05-5.webp)
1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid
TL;DR: 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid (CAS 18162-05-5) is a chemical compound with molecular formula C13H18ClFN4S and molecular weight 316.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]-3-methylthiourea
Also Known As: 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid, 1-[[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]-3-methylthiourea
| Molecular Formula | C13H18ClFN4S |
|---|---|
| Molecular Weight | 316.09 g/mol |
| LogP | 2.1291 |
| Topological Polar Surface Area | 39.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 316.09247 |
| Heavy Atoms | 20 |
| Complexity | 432.50223 |
Chemical Identifiers
| CAS Number | 18162-05-5 |
|---|---|
| SMILES | CNC(=S)NN=CC1=CC=C(C=C1)N(CCF)CCCl |
Product Overview
1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid (CAS 18162-05-5), with molecular formula C13H18ClFN4S and molecular weight 316.09 g/mol. IUPAC: 1-[[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylideneamino]-3-methylthiourea.
Chemical Property Profile of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid
Property Insights of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid
The XLogP value of 2.1291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid. With a topological polar surface area (TPSA) of 39.66 Ų, 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid has 2 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 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid?
The CAS number of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid is 18162-05-5.
What is the molecular formula of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid?
The molecular formula of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid is C13H18ClFN4S.
What is the molecular weight of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid?
The molecular weight of 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid is 316.09 g/mol.
Where can I buy 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid?
You can request a quote for 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-[4-[2-chloroethyl(2-fluoroethyl)amino]phenyl]methylid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.