![6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] structure](/static/products/7482/748-26-5.webp)
6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]
TL;DR: 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] (CAS 748-26-5) is a chemical compound with molecular formula C18H23Cl2N5OS and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-methylamino]-3-methyl-2-methylsulfanylpyrimidin-4-one
Also Known As: 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino], 6-(2-{4-[bis(2-chloroethyl)amino]benzylidene}-1-methylhydrazinyl)-3-methyl-2-(methylsulfanyl)pyrimidin-4(3H)-one, 6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-methylamino]-3-methyl-2-methylsulfanylpyrimidin-4-one
| Molecular Formula | C18H23Cl2N5OS |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 427.10004 |
| Heavy Atoms | 27 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 748-26-5 |
|---|---|
| SMILES | CN1C(=O)C=C(N=C1SC)N(C)N=CC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | MKRXVPXTEWRDEI-UHFFFAOYSA-N |
Product Overview
6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] (CAS 748-26-5), with molecular formula C18H23Cl2N5OS and molecular weight 427.10 g/mol. IUPAC: 6-[[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-methylamino]-3-methyl-2-methylsulfanylpyrimidin-4-one.
Chemical Property Profile of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]
Property Insights of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]
The XLogP value of 3.7 indicates that 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]. Following Lipinski's Rule of Five, 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] 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 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]?
The CAS number of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] is 748-26-5.
What is the molecular formula of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]?
The molecular formula of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] is C18H23Cl2N5OS.
What is the molecular weight of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]?
The molecular weight of 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] is 427.10 g/mol.
Where can I buy 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]?
You can request a quote for 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]?
Yes, KEHONG BIO provides custom synthesis services for 6-[[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.