![Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate structure](/static/products/5116/5116-42-7.webp)
Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate
TL;DR: Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate (CAS 5116-42-7) is a chemical compound with molecular formula C16H16Cl3NO5 and molecular weight 407.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[5-oxo-5-(2,3,3-trichloroprop-2-enoxy)pentanoyl]amino]benzoate
Also Known As: 1-(Ribofuranosyl)-pyrid-2-on, methyl 4-[[5-oxo-5-(2,3,3-trichloroprop-2-enoxy)pentanoyl]amino]benzoate, Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate, METHYL 4-[4-(2,3,3-TRICHLOROPROP-2-ENOXYCARBONYL)BUTANOYLAMINO]BENZOATE, METHYL 4-{5-OXO-5-[(2,3,3-TRICHLOROPROP-2-EN-1-YL)OXY]PENTANAMIDO}BENZOATE
| Molecular Formula | C16H16Cl3NO5 |
|---|---|
| Molecular Weight | 407.01 g/mol |
| LogP | 4.0107 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.0094 |
| Heavy Atoms | 25 |
| Complexity | 654.23895 |
Chemical Identifiers
| CAS Number | 5116-42-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CCCC(=O)OCC(=C(Cl)Cl)Cl |
Product Overview
Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate (CAS 5116-42-7), with molecular formula C16H16Cl3NO5 and molecular weight 407.01 g/mol. IUPAC: methyl 4-[[5-oxo-5-(2,3,3-trichloroprop-2-enoxy)pentanoyl]amino]benzoate.
Chemical Property Profile of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate
Property Insights of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate
The XLogP value of 4.0107 indicates that Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 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 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate?
The CAS number of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate is 5116-42-7.
What is the molecular formula of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate?
The molecular formula of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate is C16H16Cl3NO5.
What is the molecular weight of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate?
The molecular weight of Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate is 407.01 g/mol.
Where can I buy Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate?
You can request a quote for Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({5-oxo-5-[(2,3,3-trichloroprop-2-en-1-yl)oxy]pentanoyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.