p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-
TL;DR: p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- (CAS 19768-74-2) is a chemical compound with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[bis(2-chloroethyl)amino]-4-methylbenzaldehyde
Also Known As: 3-[bis(2-chloroethyl)amino]-4-methylbenzaldehyde, 3-(Bis(2-chloroethyl)amino)-4-methylbenzaldehyde, p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-, 3-(Bis(2-chloroethyl)amino)-p-tolualdehyde, p-Tolualdehyde, 3-[bis(2-chloroethyl)amino]-
| Molecular Formula | C12H15Cl2NO |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 259.05307 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 19768-74-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C=O)N(CCCl)CCCl |
| InChIKey | DEOICCGWRFAQNC-UHFFFAOYSA-N |
Product Overview
p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- (CAS 19768-74-2), with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol. IUPAC: 3-[bis(2-chloroethyl)amino]-4-methylbenzaldehyde.
Chemical Property Profile of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-
Property Insights of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-
The XLogP value of 3.1 indicates that p-Tolualdehyde, 3-(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 20.3 Ų, p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- has 0 hydrogen bond donor(s) and 2 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-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-?
The CAS number of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- is 19768-74-2.
What is the molecular formula of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-?
The molecular formula of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- is C12H15Cl2NO.
What is the molecular weight of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-?
The molecular weight of p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- is 259.05 g/mol.
Where can I buy p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-?
You can request a quote for p-Tolualdehyde, 3-(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-Tolualdehyde, 3-(bis(2-chloroethyl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for p-Tolualdehyde, 3-(bis(2-chloroethyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.