1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate
TL;DR: 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate (CAS 6949-46-8) is a chemical compound with molecular formula C19H37NO3 and molecular weight 327.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(dibutylamino)-1-oxopropan-2-yl] 2-ethylhexanoate
Also Known As: KST-1B7657, 1-(dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate, [1-(dibutylamino)-1-oxopropan-2-yl] 2-ethylhexanoate, 2-ethyl-hexanoic acid 1-dibutylcarbamoyl-ethyl ester, 2-(dibutylamino)-1-methyl-2-oxoethyl 2-ethylhexanoate
| Molecular Formula | C19H37NO3 |
|---|---|
| Molecular Weight | 327.28 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 14 |
| Exact Mass | 327.27734 |
| Heavy Atoms | 23 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 6949-46-8 |
|---|---|
| SMILES | CCCCC(CC)C(=O)OC(C)C(=O)N(CCCC)CCCC |
| InChIKey | KMCZEAHLLDORIG-UHFFFAOYSA-N |
Product Overview
1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate (CAS 6949-46-8), with molecular formula C19H37NO3 and molecular weight 327.28 g/mol. IUPAC: [1-(dibutylamino)-1-oxopropan-2-yl] 2-ethylhexanoate.
Chemical Property Profile of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate
Property Insights of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate
The XLogP value of 5.4 indicates that 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate 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 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate?
The CAS number of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate is 6949-46-8.
What is the molecular formula of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate?
The molecular formula of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate is C19H37NO3.
What is the molecular weight of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate?
The molecular weight of 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate is 327.28 g/mol.
Where can I buy 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate?
You can request a quote for 1-(Dibutylamino)-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-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Dibutylamino)-1-oxopropan-2-yl 2-ethylhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.