4-(Bis(2-chloroethyl)amino)benzaldehyde
TL;DR: 4-(Bis(2-chloroethyl)amino)benzaldehyde (CAS 1208-03-3) is a chemical compound with molecular formula C11H13Cl2NO and molecular weight 245.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]benzaldehyde
Also Known As: 4-[Bis(2-chloroethyl)amino]benzaldehyde, 4-(Bis(2-chloroethyl)amino)benzaldehyde, 4-Bis(2-chloroethyl)aminobenzaldehyde, 4-[Bis-(2-chloroethyl)amino]benzaldehyde, vhr dn2g2g
| Molecular Formula | C11H13Cl2NO |
|---|---|
| Molecular Weight | 245.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.03741 |
| Heavy Atoms | 15 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 1208-03-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)N(CCCl)CCCl |
| InChIKey | PXUFHXLGUJLBMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Bis(2-chloroethyl)amino)benzaldehyde (CAS 1208-03-3), with molecular formula C11H13Cl2NO and molecular weight 245.04 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]benzaldehyde.
Chemical Property Profile of 4-(Bis(2-chloroethyl)amino)benzaldehyde
Property Insights of 4-(Bis(2-chloroethyl)amino)benzaldehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis(2-chloroethyl)amino)benzaldehyde. With a topological polar surface area (TPSA) of 20.3 Ų, 4-(Bis(2-chloroethyl)amino)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bis(2-chloroethyl)amino)benzaldehyde 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 4-(Bis(2-chloroethyl)amino)benzaldehyde?
The CAS number of 4-(Bis(2-chloroethyl)amino)benzaldehyde is 1208-03-3.
What is the molecular formula of 4-(Bis(2-chloroethyl)amino)benzaldehyde?
The molecular formula of 4-(Bis(2-chloroethyl)amino)benzaldehyde is C11H13Cl2NO.
What is the molecular weight of 4-(Bis(2-chloroethyl)amino)benzaldehyde?
The molecular weight of 4-(Bis(2-chloroethyl)amino)benzaldehyde is 245.04 g/mol.
Where can I buy 4-(Bis(2-chloroethyl)amino)benzaldehyde?
You can request a quote for 4-(Bis(2-chloroethyl)amino)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Bis(2-chloroethyl)amino)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-chloroethyl)amino)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.