![3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid structure](/static/products/4391/439138-62-2.webp)
3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid
TL;DR: 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid (CAS 439138-62-2) is a chemical compound with molecular formula C21H29NO7 and molecular weight 407.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic acid
Also Known As: 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid, 3-(4,4-bis(ethoxycarbonyl)octanamido)benzoic acid, 3-{[4,4-bis(ethoxycarbonyl)octanoyl]amino}benzoic acid, 3-[4-BUTYL-5-ETHOXY-4-(ETHOXYCARBONYL)-5-OXOPENTANAMIDO]BENZOIC ACID
| Molecular Formula | C21H29NO7 |
|---|---|
| Molecular Weight | 407.19 g/mol |
| LogP | 3.4063 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 407.1944 |
| Heavy Atoms | 29 |
| Complexity | 711.49475 |
Chemical Identifiers
| CAS Number | 439138-62-2 |
|---|---|
| SMILES | CCCCC(CCC(=O)NC1=CC=CC(=C1)C(=O)O)(C(=O)OCC)C(=O)OCC |
Product Overview
3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid (CAS 439138-62-2), with molecular formula C21H29NO7 and molecular weight 407.19 g/mol. IUPAC: 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic acid.
Chemical Property Profile of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid
Property Insights of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid
The XLogP value of 3.4063 indicates that 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid. Following Lipinski's Rule of Five, 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid has 2 hydrogen bond donor(s) and 6 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 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid?
The CAS number of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid is 439138-62-2.
What is the molecular formula of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid?
The molecular formula of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid is C21H29NO7.
What is the molecular weight of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid?
The molecular weight of 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid is 407.19 g/mol.
Where can I buy 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid?
You can request a quote for 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4,4-bis(ethoxycarbonyl)octanoylamino]benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.