(1-Chlorobutylideneamino) 2-chloroacetate
TL;DR: (1-Chlorobutylideneamino) 2-chloroacetate (CAS 126794-90-9) is a chemical compound with molecular formula C6H9Cl2NO2 and molecular weight 197.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chlorobutylideneamino) 2-chloroacetate
Also Known As: [(Z)-1-chlorobutylideneamino] 2-chloroacetate
| Molecular Formula | C6H9Cl2NO2 |
|---|---|
| Molecular Weight | 197.00 g/mol |
| LogP | 2.1208 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 197.00104 |
| Heavy Atoms | 11 |
| Complexity | 158.66127 |
Chemical Identifiers
| CAS Number | 126794-90-9 |
|---|---|
| SMILES | CCCC(=NOC(=O)CCl)Cl |
Product Overview
(1-Chlorobutylideneamino) 2-chloroacetate (CAS 126794-90-9), with molecular formula C6H9Cl2NO2 and molecular weight 197.00 g/mol. IUPAC: (1-chlorobutylideneamino) 2-chloroacetate.
Chemical Property Profile of (1-Chlorobutylideneamino) 2-chloroacetate
Property Insights of (1-Chlorobutylideneamino) 2-chloroacetate
The XLogP value of 2.1208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1-Chlorobutylideneamino) 2-chloroacetate. With a topological polar surface area (TPSA) of 38.66 Ų, (1-Chlorobutylideneamino) 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Chlorobutylideneamino) 2-chloroacetate has 0 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 (1-Chlorobutylideneamino) 2-chloroacetate?
The CAS number of (1-Chlorobutylideneamino) 2-chloroacetate is 126794-90-9.
What is the molecular formula of (1-Chlorobutylideneamino) 2-chloroacetate?
The molecular formula of (1-Chlorobutylideneamino) 2-chloroacetate is C6H9Cl2NO2.
What is the molecular weight of (1-Chlorobutylideneamino) 2-chloroacetate?
The molecular weight of (1-Chlorobutylideneamino) 2-chloroacetate is 197.00 g/mol.
Where can I buy (1-Chlorobutylideneamino) 2-chloroacetate?
You can request a quote for (1-Chlorobutylideneamino) 2-chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Chlorobutylideneamino) 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for (1-Chlorobutylideneamino) 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.