![2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid structure](/static/products/1861/18617-41-9.webp)
2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid
TL;DR: 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid (CAS 18617-41-9) is a chemical compound with molecular formula C19H20Cl2N2O2 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid
Also Known As: 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneam, Anthranilic acid, N-[4-[bis(2-chloroethyl)amino)-2-methylbenzylidene]-, 2-[(E)-({4-[Bis(2-chloroethyl)amino]-2-methylphenyl}methylidene)amino]benzoic acid, 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid
| Molecular Formula | C19H20Cl2N2O2 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 378.09018 |
| Heavy Atoms | 25 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 18617-41-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=CC=C2C(=O)O |
| InChIKey | AIYBTDBOUNYLLB-UHFFFAOYSA-N |
Product Overview
2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid (CAS 18617-41-9), with molecular formula C19H20Cl2N2O2 and molecular weight 378.09 g/mol. IUPAC: 2-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]benzoic acid.
Chemical Property Profile of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid
Property Insights of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid
The XLogP value of 4.4 indicates that 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}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]-2-methylphenyl}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]-2-methylphenyl}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]-2-methylphenyl}methylidene]amino}benzoic acid?
The CAS number of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid is 18617-41-9.
What is the molecular formula of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid?
The molecular formula of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid is C19H20Cl2N2O2.
What is the molecular weight of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid?
The molecular weight of 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid is 378.09 g/mol.
Where can I buy 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid?
You can request a quote for 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}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]-2-methylphenyl}methylidene]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(e)-{4-[bis(2-chloroethyl)amino]-2-methylphenyl}methylidene]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.