Ester
TL;DR: Ester (CAS 5428-15-9) is a chemical compound with molecular formula C28H46O2 and molecular weight 414.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
Also Known As: Cholesterol Formate, Cholesteryl formate, Ester, Esters, Organic Ester
| Molecular Formula | C28H46O2 |
|---|---|
| Molecular Weight | 414.35 g/mol |
| LogP | 9.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.3498 |
| Heavy Atoms | 30 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 5428-15-9 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC=O)C)C |
| InChIKey | YEYCQJVCAMFWCO-PXBBAZSNSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ester (CAS 5428-15-9), with molecular formula C28H46O2 and molecular weight 414.35 g/mol. IUPAC: [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate.
Chemical Property Profile of Ester
Property Insights of Ester
The XLogP value of 9.1 indicates that Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ester?
The CAS number of Ester is 5428-15-9.
What is the molecular formula of Ester?
The molecular formula of Ester is C28H46O2.
What is the molecular weight of Ester?
The molecular weight of Ester is 414.35 g/mol.
Where can I buy Ester?
You can request a quote for Ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ester?
Yes, KEHONG BIO provides custom synthesis services for Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.