![4-[Bis(2-chloroethyl)amino]benzoyl chloride structure](/static/products/1594/15944-88-4.webp)
4-[Bis(2-chloroethyl)amino]benzoyl chloride
TL;DR: 4-[Bis(2-chloroethyl)amino]benzoyl chloride (CAS 15944-88-4) is a chemical compound with molecular formula C11H12Cl3NO and molecular weight 279.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[bis(2-chloroethyl)amino]benzoyl chloride
Also Known As: 4-[bis(2-chloroethyl)amino]benzoyl chloride, Benzoyl chloride, 4-[bis(2-chloroethyl)amino]-, p-N,N-Bis(2-chloroethyl)aminobenzoyl chloride, BENZOYL CHLORIDE,4-[BIS(2-CHLOROETHYL)AMINO]-
| Molecular Formula | C11H12Cl3NO |
|---|---|
| Molecular Weight | 279.00 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.99844 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 15944-88-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)Cl)N(CCCl)CCCl |
| InChIKey | IWHSVISTOFFXOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[Bis(2-chloroethyl)amino]benzoyl chloride (CAS 15944-88-4), with molecular formula C11H12Cl3NO and molecular weight 279.00 g/mol. IUPAC: 4-[bis(2-chloroethyl)amino]benzoyl chloride.
Chemical Property Profile of 4-[Bis(2-chloroethyl)amino]benzoyl chloride
Property Insights of 4-[Bis(2-chloroethyl)amino]benzoyl chloride
The XLogP value of 3.4 indicates that 4-[Bis(2-chloroethyl)amino]benzoyl chloride 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]benzoyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[Bis(2-chloroethyl)amino]benzoyl chloride 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]benzoyl chloride?
The CAS number of 4-[Bis(2-chloroethyl)amino]benzoyl chloride is 15944-88-4.
What is the molecular formula of 4-[Bis(2-chloroethyl)amino]benzoyl chloride?
The molecular formula of 4-[Bis(2-chloroethyl)amino]benzoyl chloride is C11H12Cl3NO.
What is the molecular weight of 4-[Bis(2-chloroethyl)amino]benzoyl chloride?
The molecular weight of 4-[Bis(2-chloroethyl)amino]benzoyl chloride is 279.00 g/mol.
Where can I buy 4-[Bis(2-chloroethyl)amino]benzoyl chloride?
You can request a quote for 4-[Bis(2-chloroethyl)amino]benzoyl chloride 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]benzoyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-[Bis(2-chloroethyl)amino]benzoyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.