1-Amino-1-oxopropan-2-yl 2-ethylhexanoate
TL;DR: 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate (CAS 6948-91-0) is a chemical compound with molecular formula C11H21NO3 and molecular weight 215.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-1-oxopropan-2-yl) 2-ethylhexanoate
Also Known As: 1-amino-1-oxopropan-2-yl 2-ethylhexanoate, (1-amino-1-oxopropan-2-yl) 2-ethylhexanoate, 2-ethyl-hexanoic acid 1-carbamoyl-ethyl ester
| Molecular Formula | C11H21NO3 |
|---|---|
| Molecular Weight | 215.15 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 215.15215 |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 6948-91-0 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC(C)C(=O)N |
| InChIKey | YTWHORWZTZTBSD-UHFFFAOYSA-N |
Product Overview
1-Amino-1-oxopropan-2-yl 2-ethylhexanoate (CAS 6948-91-0), with molecular formula C11H21NO3 and molecular weight 215.15 g/mol. IUPAC: (1-amino-1-oxopropan-2-yl) 2-ethylhexanoate.
Chemical Property Profile of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate
Property Insights of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate. Following Lipinski's Rule of Five, 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate 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 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate?
The CAS number of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate is 6948-91-0.
What is the molecular formula of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate?
The molecular formula of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate is C11H21NO3.
What is the molecular weight of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate?
The molecular weight of 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate is 215.15 g/mol.
Where can I buy 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate?
You can request a quote for 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-1-oxopropan-2-yl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.