Esterastin
TL;DR: Esterastin (CAS 67655-93-0) is a chemical compound with molecular formula C28H46N2O6 and molecular weight 506.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl 2-acetamido-4-amino-4-oxobutanoate
Also Known As: Esterastin, 1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl 2-acetamido-4-amino-4-oxobutanoate, 5-(N-acetyl-L-asparaginyloxy)-2-hexyl-3-hydroxy- 7,10-hexadecadienoic lactone, L-Asparagine, N(2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2alpha(1R*,3Z,6Z),3beta))-, L-Asparagine, N(sup 2)-acetyl-, 1-((3-hexyl-4-oxo-2-oxetanyl)methyl)-3,6-dodecadienyl ester, (2S-(2-alpha(1R*,3Z,6Z),3-beta))-
| Molecular Formula | C28H46N2O6 |
|---|---|
| Molecular Weight | 506.34 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 21 |
| Exact Mass | 506.3356 |
| Heavy Atoms | 36 |
| Complexity | 748.0 |
Chemical Identifiers
| CAS Number | 67655-93-0 |
|---|---|
| SMILES | CCCCCCC1C(OC1=O)CC(CC=CCC=CCCCCC)OC(=O)C(CC(=O)N)NC(=O)C |
| InChIKey | JKNGELGDDBUFHG-UHFFFAOYSA-N |
Product Overview
Esterastin (CAS 67655-93-0), with molecular formula C28H46N2O6 and molecular weight 506.34 g/mol. IUPAC: 1-(3-hexyl-4-oxooxetan-2-yl)trideca-4,7-dien-2-yl 2-acetamido-4-amino-4-oxobutanoate.
Chemical Property Profile of Esterastin
Property Insights of Esterastin
The XLogP value of 5.9 indicates that Esterastin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Esterastin. Following Lipinski's Rule of Five, Esterastin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Esterastin?
The CAS number of Esterastin is 67655-93-0.
What is the molecular formula of Esterastin?
The molecular formula of Esterastin is C28H46N2O6.
What is the molecular weight of Esterastin?
The molecular weight of Esterastin is 506.34 g/mol.
Where can I buy Esterastin?
You can request a quote for Esterastin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Esterastin?
Yes, KEHONG BIO provides custom synthesis services for Esterastin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.