![4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde structure](/static/products/929/92960-41-3.png)
4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde
TL;DR: 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde (CAS 92960-41-3) 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.
4-[bis(2-chloroethyl)amino]-3-methylbenzaldehyde
Also Known As: 4-[bis(2-chloroethyl)amino]-3-methylbenzaldehyde, 4-[bis(2-chloroethyl)amino]-3-methyl-benzaldehyde, 3-Methyl-4-
| 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 | 92960-41-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C=O)N(CCCl)CCCl |
| InChIKey | CSOPQTRNTUWLEV-UHFFFAOYSA-N |
Product Overview
4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde (CAS 92960-41-3), with molecular formula C12H15Cl2NO and molecular weight 259.05 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]-3-methylbenzaldehyde.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde
Property Insights of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde
The XLogP value of 3.1 indicates that 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde 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]-3-methylbenzaldehyde?
The CAS number of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde is 92960-41-3.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde?
The molecular formula of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde is C12H15Cl2NO.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde?
The molecular weight of 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde is 259.05 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde?
You can request a quote for 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde 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]-3-methylbenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]-3-methylbenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.