1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate
TL;DR: 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate (CAS 59866-14-7) is a chemical compound with molecular formula C28H35NO8 and molecular weight 513.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(tert-butylamino)-3-(9-oxofluoren-4-yl)oxypropan-2-yl] 2,2-dimethylpropanoate;propanedioic acid
Also Known As: LL 21-945, 4-(3-Tertbutylamino-2-pivaloyloxypropoxy)-9-fluorenon hydrogen malonate, 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-yl pivalate malonate, 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate, [1-(tert-butylamino)-3-(9-oxofluoren-4-yl)oxypropan-2-yl] 2,2-dimethylpropanoate; propanedioic acid
| Molecular Formula | C28H35NO8 |
|---|---|
| Molecular Weight | 513.24 g/mol |
| LogP | 4.1685 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 513.23627 |
| Heavy Atoms | 37 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 59866-14-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC(CNC(C)(C)C)COC1=CC=CC2=C1C3=CC=CC=C3C2=O.C(C(=O)O)C(=O)O |
| InChIKey | DGKJZCSWFYUWMP-UHFFFAOYSA-N |
Product Overview
1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate (CAS 59866-14-7), with molecular formula C28H35NO8 and molecular weight 513.24 g/mol. IUPAC: [1-(tert-butylamino)-3-(9-oxofluoren-4-yl)oxypropan-2-yl] 2,2-dimethylpropanoate;propanedioic acid.
Chemical Property Profile of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate
Property Insights of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate
The XLogP value of 4.1685 indicates that 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate. Following Lipinski's Rule of Five, 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate?
The CAS number of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate is 59866-14-7.
What is the molecular formula of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate?
The molecular formula of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate is C28H35NO8.
What is the molecular weight of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate?
The molecular weight of 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate is 513.24 g/mol.
Where can I buy 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate?
You can request a quote for 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(tert-Butylamino)-3-((9-oxo-9H-fluoren-4-yl)oxy)propan-2-ylpivalatemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.