4-(Bis(2-chloroethyl)amino)benzaldehyde oxime
TL;DR: 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime (CAS 18237-77-9) is a chemical compound with molecular formula C11H14Cl2N2O and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydroxylamine
Also Known As: 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime, Benzaldehyde, p-(bis(2-chloroethyl)amino)-, oxime, 4-[bis-(2-chloro-ethyl)-amino]-benzaldehyde-oxime, Benzaldehyde, p-[bis(2-chloroethyl)amino]-, oxime, p-(BIS(2-CHLOROETHYL)AMINO)BENZALDEHYDE OXIME
| Molecular Formula | C11H14Cl2N2O |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.0483 |
| Heavy Atoms | 16 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 18237-77-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NO)N(CCCl)CCCl |
| InChIKey | FXVFBBQKGSWGPW-UHFFFAOYSA-N |
Product Overview
4-(Bis(2-chloroethyl)amino)benzaldehyde oxime (CAS 18237-77-9), with molecular formula C11H14Cl2N2O and molecular weight 260.05 g/mol. IUPAC: N-[[4-[bis(2-chloroethyl)amino]phenyl]methylidene]hydroxylamine.
Chemical Property Profile of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime
Property Insights of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime. With a topological polar surface area (TPSA) of 35.8 Ų, 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime 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 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime?
The CAS number of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime is 18237-77-9.
What is the molecular formula of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime?
The molecular formula of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime is C11H14Cl2N2O.
What is the molecular weight of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime?
The molecular weight of 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime is 260.05 g/mol.
Where can I buy 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime?
You can request a quote for 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime 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 oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-chloroethyl)amino)benzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.