![2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid structure](/static/products/1858/1858-25-9.webp)
2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid
TL;DR: 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid (CAS 1858-25-9) is a chemical compound with molecular formula C18H18Cl2N2O2 and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzoic acid
Also Known As: 4-(4-Methyl-pyridin-2-yl)-phenylamine, NCI60_000044, 2-{[(e)-{4-[bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid, Anthranilic acid, N-[p-[bis(2-chloroethyl)amino]benzylidene]-, 2-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzoic acid
| Molecular Formula | C18H18Cl2N2O2 |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 364.07452 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 1858-25-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)N(CCCl)CCCl |
| InChIKey | MJQQQKFACWBDPW-UHFFFAOYSA-N |
Product Overview
2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid (CAS 1858-25-9), with molecular formula C18H18Cl2N2O2 and molecular weight 364.07 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzoic acid.
Chemical Property Profile of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid
Property Insights of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid
The XLogP value of 4.1 indicates that 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid has 1 hydrogen bond donor(s) and 4 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 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid?
The CAS number of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid is 1858-25-9.
What is the molecular formula of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid?
The molecular formula of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid is C18H18Cl2N2O2.
What is the molecular weight of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid?
The molecular weight of 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid is 364.07 g/mol.
Where can I buy 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid?
You can request a quote for 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.