p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt
TL;DR: p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt (CAS 69885-00-3) is a chemical compound with molecular formula C15H24Cl2N2O2 and molecular weight 334.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid;propan-2-amine
Also Known As: p-Toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt, 3-(Bis(2-chloroethyl)amino)-p-toluic acid isopropylamine salt, Benzoic acid, 3-(bis(2-chloroethyl)amino)-4-methyl-, compd. with 2-propanamine (1:1), 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid; propan-2-amine, 3-[Bis(2-chloroethyl)amino]-4-methylbenzoic acid--propan-2-amine (1/1)
| Molecular Formula | C15H24Cl2N2O2 |
|---|---|
| Molecular Weight | 334.12 g/mol |
| LogP | 3.33072 |
| Topological Polar Surface Area | 66.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 334.1215 |
| Heavy Atoms | 21 |
| Complexity | 430.92694 |
Chemical Identifiers
| CAS Number | 69885-00-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)N(CCCl)CCCl.CC(C)N |
Product Overview
p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt (CAS 69885-00-3), with molecular formula C15H24Cl2N2O2 and molecular weight 334.12 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-methylbenzoic acid;propan-2-amine.
Chemical Property Profile of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt
Property Insights of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt
The XLogP value of 3.33072 indicates that p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.56 Ų falls within the moderate polarity range, balancing permeability and solubility for p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt. Following Lipinski's Rule of Five, p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt has 2 hydrogen bond donor(s) and 3 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 p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt?
The CAS number of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt is 69885-00-3.
What is the molecular formula of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt?
The molecular formula of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt is C15H24Cl2N2O2.
What is the molecular weight of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt?
The molecular weight of p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt is 334.12 g/mol.
Where can I buy p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt?
You can request a quote for p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt?
Yes, KEHONG BIO provides custom synthesis services for p-toluic acid, 3-(bis(2-chloroethyl)amino)-, isopropylamine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.