![Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate structure](/static/products/1009/1009702-47-9.webp)
Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate
TL;DR: Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate (CAS 1009702-47-9) is a chemical compound with molecular formula C25H34N2O4 and molecular weight 426.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzoate
Also Known As: F3156-0005, ethyl 4-{2-[(adamantan-1-yl)formamido]-3-methylbutanamido}benzoate, ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate, ethyl 4-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzoate, ethyl p-[2-(1-adamantanylcarbonylamino)-3-methylbutyrylamino]benzoate
| Molecular Formula | C25H34N2O4 |
|---|---|
| Molecular Weight | 426.25 g/mol |
| LogP | 4.159 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.25186 |
| Heavy Atoms | 31 |
| Complexity | 810.2987 |
Chemical Identifiers
| CAS Number | 1009702-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C23CC4CC(C2)CC(C4)C3 |
Product Overview
Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate (CAS 1009702-47-9), with molecular formula C25H34N2O4 and molecular weight 426.25 g/mol. IUPAC: ethyl 4-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate
Property Insights of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate
The XLogP value of 4.159 indicates that Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate has 2 hydrogen bond donor(s) and 4 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 Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate?
The CAS number of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate is 1009702-47-9.
What is the molecular formula of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate?
The molecular formula of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate is C25H34N2O4.
What is the molecular weight of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate?
The molecular weight of Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate is 426.25 g/mol.
Where can I buy Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate?
You can request a quote for Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-(adamantanylcarbonylamino)-3-methylbutanoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.