Isoobtusilactone A
TL;DR: Isoobtusilactone A (CAS 56522-16-8) is a chemical compound with molecular formula C19H32O3 and molecular weight 308.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one
Also Known As: Isoobtusilactone A, Isooblusilactonc A, J2.236.171F, (3E,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one, (3S,4E)-2,3-Dihydro-3beta-hydroxy-4-(tetradecylidene)-2-methylenefuran-5(4H)-one
| Molecular Formula | C19H32O3 |
|---|---|
| Molecular Weight | 308.24 g/mol |
| LogP | 5.0453 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 308.23514 |
| Heavy Atoms | 22 |
| Complexity | 370.8766 |
Chemical Identifiers
| CAS Number | 56522-16-8 |
|---|---|
| SMILES | CCCCCCCCCCCCC/C=C/1\[C@@H](C(=C)OC1=O)O |
Product Overview
Isoobtusilactone A (CAS 56522-16-8), with molecular formula C19H32O3 and molecular weight 308.24 g/mol. IUPAC: (3E,4S)-4-hydroxy-5-methylidene-3-tetradecylideneoxolan-2-one.
Chemical Property Profile of Isoobtusilactone A
Property Insights of Isoobtusilactone A
The XLogP value of 5.0453 indicates that Isoobtusilactone A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, Isoobtusilactone A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoobtusilactone A has 1 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 Isoobtusilactone A?
The CAS number of Isoobtusilactone A is 56522-16-8.
What is the molecular formula of Isoobtusilactone A?
The molecular formula of Isoobtusilactone A is C19H32O3.
What is the molecular weight of Isoobtusilactone A?
The molecular weight of Isoobtusilactone A is 308.24 g/mol.
Where can I buy Isoobtusilactone A?
You can request a quote for Isoobtusilactone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoobtusilactone A?
Yes, KEHONG BIO provides custom synthesis services for Isoobtusilactone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.