![Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate structure](/static/products/6944/694458-41-8.webp)
Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate
TL;DR: Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate (CAS 694458-41-8) is a chemical compound with molecular formula C17H21Cl2NO3 and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cycloheptyl-3-(2,4-dichloroanilino)-3-oxopropanoate
Also Known As: methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate, methyl 2-cycloheptyl-3-(2,4-dichloroanilino)-3-oxopropanoate, methyl 2-cycloheptyl-3-((2,4-dichlorophenyl)amino)-3-oxopropanoate, METHYL 2-CYCLOHEPTYL-2-[(2,4-DICHLOROPHENYL)CARBAMOYL]ACETATE
| Molecular Formula | C17H21Cl2NO3 |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 4.6915 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.08984 |
| Heavy Atoms | 23 |
| Complexity | 568.957 |
Chemical Identifiers
| CAS Number | 694458-41-8 |
|---|---|
| SMILES | COC(=O)C(C1CCCCCC1)C(=O)NC2=C(C=C(C=C2)Cl)Cl |
Product Overview
Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate (CAS 694458-41-8), with molecular formula C17H21Cl2NO3 and molecular weight 357.09 g/mol. IUPAC: methyl 2-cycloheptyl-3-(2,4-dichloroanilino)-3-oxopropanoate.
Chemical Property Profile of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate
Property Insights of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate
The XLogP value of 4.6915 indicates that Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate 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 Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate?
The CAS number of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate is 694458-41-8.
What is the molecular formula of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate?
The molecular formula of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate is C17H21Cl2NO3.
What is the molecular weight of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate?
The molecular weight of Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate is 357.09 g/mol.
Where can I buy Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate?
You can request a quote for Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cycloheptyl-3-[(2,4-dichlorophenyl)amino]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.