Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester
TL;DR: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester (CAS 58278-35-6) is a chemical compound with molecular formula C18H28Cl2N2O2 and molecular weight 374.15277 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(diethylamino)ethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
Also Known As: Benzamide,2-methyl-N-octyl, 3-[Bis amino]-p-toluicacid2- ethylester, 3-(Bis(2-chloroethyl)amino)-p-toluic acid 2-(diethylamino)ethyl ester, p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 3-[bis(2-chloroethyl)amino]-4-methylbenzoate
Technical Specifications
| Molecular Formula | C18H28Cl2N2O2 |
| Molecular Weight | 374.15277 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 374.15277 Da |
| Heavy Atoms | 24 |
| Complexity | 348.0 |
| SMILES | CCN(CC)CCOC(=O)C1=CC(=C(C=C1)C)N(CCCl)CCCl |
| InChIKey | SUXXQPYIEOMRBY-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester
Property Insights of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester
The XLogP value of 4.2 indicates that Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester?
The CAS number of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester is 58278-35-6.
What is the molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester is C18H28Cl2N2O2.
What is the molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester is 374.15277 g/mol.
Where can I buy Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.