p-Toluic acid, 2-bis(2-chloroethyl)amino-
TL;DR: p-Toluic acid, 2-bis(2-chloroethyl)amino- (CAS 6009-97-8) is a chemical compound with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis(2-chloroethyl)amino]-4-methylbenzoic acid
Also Known As: 2-Bis(2-chloroethyl)amino-p-toluic acid, p-Toluic acid, 2-bis(2-chloroethyl)amino-, 2-[bis(2-chloroethyl)amino]-4-methylbenzoic acid, 2-Bis(2-chloroethyl)amino-4-methylbenzoic acid, Benzoic acid, 2-bis(2-chloroethyl)amino-4-methyl-
| Molecular Formula | C12H15Cl2NO2 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 275.04797 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 6009-97-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(=O)O)N(CCCl)CCCl |
| InChIKey | QNBUCFHYTAXDFW-UHFFFAOYSA-N |
Product Overview
p-Toluic acid, 2-bis(2-chloroethyl)amino- (CAS 6009-97-8), with molecular formula C12H15Cl2NO2 and molecular weight 275.05 g/mol. IUPAC: 2-[bis(2-chloroethyl)amino]-4-methylbenzoic acid.
Chemical Property Profile of p-Toluic acid, 2-bis(2-chloroethyl)amino-
Property Insights of p-Toluic acid, 2-bis(2-chloroethyl)amino-
The XLogP value of 4.1 indicates that p-Toluic acid, 2-bis(2-chloroethyl)amino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, p-Toluic acid, 2-bis(2-chloroethyl)amino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Toluic acid, 2-bis(2-chloroethyl)amino- 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
Frequently Asked Questions
What is the CAS number of p-Toluic acid, 2-bis(2-chloroethyl)amino-?
The CAS number of p-Toluic acid, 2-bis(2-chloroethyl)amino- is 6009-97-8.
What is the molecular formula of p-Toluic acid, 2-bis(2-chloroethyl)amino-?
The molecular formula of p-Toluic acid, 2-bis(2-chloroethyl)amino- is C12H15Cl2NO2.
What is the molecular weight of p-Toluic acid, 2-bis(2-chloroethyl)amino-?
The molecular weight of p-Toluic acid, 2-bis(2-chloroethyl)amino- is 275.05 g/mol.
Where can I buy p-Toluic acid, 2-bis(2-chloroethyl)amino-?
You can request a quote for p-Toluic acid, 2-bis(2-chloroethyl)amino- 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, 2-bis(2-chloroethyl)amino-?
Yes, KEHONG BIO provides custom synthesis services for p-Toluic acid, 2-bis(2-chloroethyl)amino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.