1-(Butylamino)-1-oxopropan-2-yl acetate
TL;DR: 1-(Butylamino)-1-oxopropan-2-yl acetate (CAS 104199-06-6) is a chemical compound with molecular formula C9H17NO3 and molecular weight 187.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(butylamino)-1-oxopropan-2-yl] acetate
Also Known As: 1-(butylamino)-1-oxopropan-2-yl acetate, KST-1A9692, Propanamide,2-(acetyloxy)-N-butyl-, 1-(BUTYLCARBAMOYL)ETHYL ACETATE, [1-(butylamino)-1-oxopropan-2-yl] acetate
| Molecular Formula | C9H17NO3 |
|---|---|
| Molecular Weight | 187.12 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.12085 |
| Heavy Atoms | 13 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 104199-06-6 |
|---|---|
| SMILES | CCCCNC(=O)C(C)OC(=O)C |
| InChIKey | WCNCPOAGGIARED-UHFFFAOYSA-N |
Product Overview
1-(Butylamino)-1-oxopropan-2-yl acetate (CAS 104199-06-6), with molecular formula C9H17NO3 and molecular weight 187.12 g/mol. IUPAC: [1-(butylamino)-1-oxopropan-2-yl] acetate.
Chemical Property Profile of 1-(Butylamino)-1-oxopropan-2-yl acetate
Property Insights of 1-(Butylamino)-1-oxopropan-2-yl acetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Butylamino)-1-oxopropan-2-yl acetate. With a topological polar surface area (TPSA) of 55.4 Ų, 1-(Butylamino)-1-oxopropan-2-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Butylamino)-1-oxopropan-2-yl acetate 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-(Butylamino)-1-oxopropan-2-yl acetate?
The CAS number of 1-(Butylamino)-1-oxopropan-2-yl acetate is 104199-06-6.
What is the molecular formula of 1-(Butylamino)-1-oxopropan-2-yl acetate?
The molecular formula of 1-(Butylamino)-1-oxopropan-2-yl acetate is C9H17NO3.
What is the molecular weight of 1-(Butylamino)-1-oxopropan-2-yl acetate?
The molecular weight of 1-(Butylamino)-1-oxopropan-2-yl acetate is 187.12 g/mol.
Where can I buy 1-(Butylamino)-1-oxopropan-2-yl acetate?
You can request a quote for 1-(Butylamino)-1-oxopropan-2-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Butylamino)-1-oxopropan-2-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-(Butylamino)-1-oxopropan-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.