Ethyl 2-butyl-2-carbamoyl-hexanoate
TL;DR: Ethyl 2-butyl-2-carbamoyl-hexanoate (CAS 92671-73-3) is a chemical compound with molecular formula C13H25NO3 and molecular weight 243.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-butyl-2-carbamoylhexanoate
Also Known As: ethyl 2-butyl-2-carbamoylhexanoate, ETHYL 2-BUTYL-2-CARBAMOYL-HEXANOATE, 2,2-dibutyl-malonamic acid ethyl ester, RefChem:342700
| Molecular Formula | C13H25NO3 |
|---|---|
| Molecular Weight | 243.18 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 243.18344 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 92671-73-3 |
|---|---|
| SMILES | CCCCC(CCCC)(C(=O)N)C(=O)OCC |
| InChIKey | FMILPAHYEMMAEG-UHFFFAOYSA-N |
Product Overview
Ethyl 2-butyl-2-carbamoyl-hexanoate (CAS 92671-73-3), with molecular formula C13H25NO3 and molecular weight 243.18 g/mol. IUPAC: ethyl 2-butyl-2-carbamoylhexanoate.
Chemical Property Profile of Ethyl 2-butyl-2-carbamoyl-hexanoate
Property Insights of Ethyl 2-butyl-2-carbamoyl-hexanoate
The XLogP value of 3.3 indicates that Ethyl 2-butyl-2-carbamoyl-hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-butyl-2-carbamoyl-hexanoate. Following Lipinski's Rule of Five, Ethyl 2-butyl-2-carbamoyl-hexanoate 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 Ethyl 2-butyl-2-carbamoyl-hexanoate?
The CAS number of Ethyl 2-butyl-2-carbamoyl-hexanoate is 92671-73-3.
What is the molecular formula of Ethyl 2-butyl-2-carbamoyl-hexanoate?
The molecular formula of Ethyl 2-butyl-2-carbamoyl-hexanoate is C13H25NO3.
What is the molecular weight of Ethyl 2-butyl-2-carbamoyl-hexanoate?
The molecular weight of Ethyl 2-butyl-2-carbamoyl-hexanoate is 243.18 g/mol.
Where can I buy Ethyl 2-butyl-2-carbamoyl-hexanoate?
You can request a quote for Ethyl 2-butyl-2-carbamoyl-hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-butyl-2-carbamoyl-hexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-butyl-2-carbamoyl-hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.