![4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde structure](/static/products/910/91090-35-6.png)
4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde
TL;DR: 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde (CAS 91090-35-6) is a chemical compound with molecular formula C11H12Cl2N2O3 and molecular weight 290.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]-2-nitrobenzaldehyde
Also Known As: 4-[bis(2-chloroethyl)amino]-2-nitrobenzaldehyde, Benzaldehyde,4-[bis(2-chloroethyl)amino]-2-nitro-, Benzaldehyde, 4-[bis(2-chloroethyl)amino]-2-nitro-, 6-benzylsulfanyl-9-tetrahydrofuran-2-yl-9H-purin-2-ylamine
| Molecular Formula | C11H12Cl2N2O3 |
|---|---|
| Molecular Weight | 290.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.0225 |
| Heavy Atoms | 18 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 91090-35-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1N(CCCl)CCCl)[N+](=O)[O-])C=O |
| InChIKey | ZSLXBNRXMBHUGQ-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde (CAS 91090-35-6), with molecular formula C11H12Cl2N2O3 and molecular weight 290.02 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-2-nitrobenzaldehyde.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde
Property Insights of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde has 0 hydrogen bond donor(s) and 4 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]-2-nitrobenzaldehyde?
The CAS number of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde is 91090-35-6.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde?
The molecular formula of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde is C11H12Cl2N2O3.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde?
The molecular weight of 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde is 290.02 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde?
You can request a quote for 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde 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]-2-nitrobenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]-2-nitrobenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.