Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate
TL;DR: Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate (CAS 7497-00-9) is a chemical compound with molecular formula C12H12Cl3NO2 and molecular weight 306.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,2,3-trichlorobutylideneamino)benzoate
Also Known As: methyl 2-(2,2,3-trichlorobutylideneamino)benzoate, 1,3-Dioxane-4,6-dione,2,2-dimethyl-5-propyl, Methyl 2-[(E)-(2,2,3-trichlorobutylidene)amino]benzoate
| Molecular Formula | C12H12Cl3NO2 |
|---|---|
| Molecular Weight | 306.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.99335 |
| Heavy Atoms | 18 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 7497-00-9 |
|---|---|
| SMILES | CC(C(C=NC1=CC=CC=C1C(=O)OC)(Cl)Cl)Cl |
| InChIKey | HNDRMZUSYBMBML-UHFFFAOYSA-N |
Product Overview
Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate (CAS 7497-00-9), with molecular formula C12H12Cl3NO2 and molecular weight 306.99 g/mol. IUPAC: methyl 2-(2,2,3-trichlorobutylideneamino)benzoate.
Chemical Property Profile of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate
Property Insights of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate
The XLogP value of 3.6 indicates that Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate 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 Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate?
The CAS number of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate is 7497-00-9.
What is the molecular formula of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate?
The molecular formula of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate is C12H12Cl3NO2.
What is the molecular weight of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate?
The molecular weight of Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate is 306.99 g/mol.
Where can I buy Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate?
You can request a quote for Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(2,2,3-trichlorobutylideneamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.