Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-
TL;DR: Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- (CAS 19143-31-8) is a chemical compound with molecular formula C14H19Cl2NO2 and molecular weight 303.07928 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-chloroethyl)amino]-4-propylbenzoic acid
Also Known As: 3-(Bis(2-chloroethyl)amino)-4-propylbenzoic acid, 3-[bis(2-chloroethyl)amino]-4-propylbenzoic acid, BENZOIC ACID, 3-(BIS(2-CHLOROETHYL)AMINO)-4-PROPYL-, BRN 2747842
Technical Specifications
| Molecular Formula | C14H19Cl2NO2 |
| Molecular Weight | 303.07928 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 303.07928 Da |
| Heavy Atoms | 19 |
| Complexity | 270.0 |
| SMILES | CCCC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl |
| InChIKey | NJWQSJJEHFBDGA-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-
Property Insights of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-
The XLogP value of 4.1 indicates that Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- has 1 hydrogen bond donor(s) and 3 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-propyl-?
The CAS number of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- is 19143-31-8.
What is the molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-?
The molecular formula of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- is C14H19Cl2NO2.
What is the molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-?
The molecular weight of Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- is 303.07928 g/mol.
Where can I buy Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl-?
You can request a quote for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- 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-propyl-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.