Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)
TL;DR: Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) (CAS 1726-08-5) is a chemical compound with molecular formula C5H10ClNO3 and molecular weight 167.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroacetic acid;N,N-dimethylformamide
Also Known As: Chloroacetic acid, N,N-dimethylformamide salt, 2-chloroacetic acid,N,N-dimethylformamide, 2-chloroacetic acid; N,N-dimethylformamide, Acetic acid, chloro-, compd. with N,N-dimethylformamide (1:1), Chloroacetic acid--N,N-dimethylformamide (1/1)
| Molecular Formula | C5H10ClNO3 |
|---|---|
| Molecular Weight | 167.03 g/mol |
| LogP | 0.01 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.03493 |
| Heavy Atoms | 10 |
| Complexity | 76.0 |
Chemical Identifiers
| CAS Number | 1726-08-5 |
|---|---|
| SMILES | CN(C)C=O.C(C(=O)O)Cl |
| InChIKey | BESPYJZJWJSLDA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) (CAS 1726-08-5), with molecular formula C5H10ClNO3 and molecular weight 167.03 g/mol. IUPAC: 2-chloroacetic acid;N,N-dimethylformamide.
Chemical Property Profile of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)
Property Insights of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)
The XLogP value of 0.01 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1). With a topological polar surface area (TPSA) of 57.6 Ų, Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) 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 Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)?
The CAS number of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) is 1726-08-5.
What is the molecular formula of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)?
The molecular formula of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) is C5H10ClNO3.
What is the molecular weight of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)?
The molecular weight of Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) is 167.03 g/mol.
Where can I buy Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)?
You can request a quote for Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-chloro-, compd. with N,N-dimethylformamide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.