Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)
TL;DR: Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) (CAS 17641-10-0) is a chemical compound with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetate
Also Known As: p-Chloroacetoxy-2-chloroacetanilide, 2-Chloro-4'-chloroacetoxyacetanilide, Acetanilide, 2-chloro-4'-chloroacetoxy-, 4-[(2-Chloroacetyl)amino]phenyl chloroacetate, [4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetate
| Molecular Formula | C10H9Cl2NO3 |
|---|---|
| Molecular Weight | 261.00 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 260.99594 |
| Heavy Atoms | 16 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 17641-10-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)CCl)OC(=O)CCl |
| InChIKey | NCHAQEGVLDMYGR-UHFFFAOYSA-N |
Product Overview
Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) (CAS 17641-10-0), with molecular formula C10H9Cl2NO3 and molecular weight 261.00 g/mol. IUPAC: [4-[(2-chloroacetyl)amino]phenyl] 2-chloroacetate.
Chemical Property Profile of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)
Property Insights of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester). With a topological polar surface area (TPSA) of 55.4 Ų, Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) 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 Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)?
The CAS number of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) is 17641-10-0.
What is the molecular formula of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)?
The molecular formula of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) is C10H9Cl2NO3.
What is the molecular weight of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)?
The molecular weight of Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) is 261.00 g/mol.
Where can I buy Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)?
You can request a quote for Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester)?
Yes, KEHONG BIO provides custom synthesis services for Acetanilide, 2-chloro-4'-hydroxy-, chloroacetate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.