3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate
TL;DR: 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate (CAS 5810-52-6) is a chemical compound with molecular formula C25H37NO3 and molecular weight 399.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-(dicyclohexylcarbamoyl)benzoate
Also Known As: 3-methylbutyl 2-(dicyclohexylcarbamoyl)benzoate, isopentyl 2-[(dicyclohexylamino)carbonyl]benzoate, 3-methylbutyl 2-(N,N-dicyclohexylcarbamoyl)benzoate, A0563/0026017
| Molecular Formula | C25H37NO3 |
|---|---|
| Molecular Weight | 399.28 g/mol |
| LogP | 5.9971 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 399.27734 |
| Heavy Atoms | 29 |
| Complexity | 654.40094 |
Chemical Identifiers
| CAS Number | 5810-52-6 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1=CC=CC=C1C(=O)N(C2CCCCC2)C3CCCCC3 |
Product Overview
3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate (CAS 5810-52-6), with molecular formula C25H37NO3 and molecular weight 399.28 g/mol. IUPAC: 3-methylbutyl 2-(dicyclohexylcarbamoyl)benzoate.
Chemical Property Profile of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate
Property Insights of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate
The XLogP value of 5.9971 indicates that 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate?
The CAS number of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate is 5810-52-6.
What is the molecular formula of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate?
The molecular formula of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate is C25H37NO3.
What is the molecular weight of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate?
The molecular weight of 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate is 399.28 g/mol.
Where can I buy 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate?
You can request a quote for 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 2-(dicyclohexylcarbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.