![Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate structure](/static/products/1538/153857-27-3.webp)
Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate
TL;DR: Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate (CAS 153857-27-3) is a chemical compound with molecular formula C21H24Cl2N2O2 and molecular weight 406.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]benzoate
Also Known As: Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate, ethyl 4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]benzoate, ethyl 4-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoate, ETHYL 4-[[4-[BIS(2-CHLOROETHYL)AMINO]-2-METHYL-PHENYL]METHYLIDENEAMINO]BENZOATE, Benzoic acid,4-[[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylene]amino]-, ethyl ester
| Molecular Formula | C21H24Cl2N2O2 |
|---|---|
| Molecular Weight | 406.12 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 406.1215 |
| Heavy Atoms | 27 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 153857-27-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)N(CCCl)CCCl)C |
| InChIKey | RBRVWJNSOJZSOA-UHFFFAOYSA-N |
Product Overview
Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate (CAS 153857-27-3), with molecular formula C21H24Cl2N2O2 and molecular weight 406.12 g/mol. IUPAC: ethyl 4-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]benzoate.
Chemical Property Profile of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate
Property Insights of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate
The XLogP value of 5.1 indicates that Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate?
The CAS number of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate is 153857-27-3.
What is the molecular formula of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate?
The molecular formula of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate is C21H24Cl2N2O2.
What is the molecular weight of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate?
The molecular weight of Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate is 406.12 g/mol.
Where can I buy Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate?
You can request a quote for Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(E)-({4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.