Dihydroisoalantolactone
TL;DR: Dihydroisoalantolactone (CAS 1856-58-2) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Also Known As: Dihydroisoalantolactone, N-acetylmuramic acid, 11,13-Dihydroisoalantolactone, (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one, Decahydro-3,8a-dimethyl-5-methylenenaphtho(2,3-b)furan-2(3H)-one (3S-(3alpha,3abeta,4abeta,8aalpha,9abeta))-
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 3.3205 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 373.1181 |
Chemical Identifiers
| CAS Number | 1856-58-2 |
|---|---|
| SMILES | C[C@H]1[C@H]2C[C@H]3C(=C)CCC[C@@]3(C[C@H]2OC1=O)C |
Product Overview
Dihydroisoalantolactone (CAS 1856-58-2), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: (3S,3aR,4aS,8aR,9aR)-3,8a-dimethyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one.
Chemical Property Profile of Dihydroisoalantolactone
Property Insights of Dihydroisoalantolactone
The XLogP value of 3.3205 indicates that Dihydroisoalantolactone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Dihydroisoalantolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dihydroisoalantolactone has 0 hydrogen bond donor(s) and 2 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 Dihydroisoalantolactone?
The CAS number of Dihydroisoalantolactone is 1856-58-2.
What is the molecular formula of Dihydroisoalantolactone?
The molecular formula of Dihydroisoalantolactone is C15H22O2.
What is the molecular weight of Dihydroisoalantolactone?
The molecular weight of Dihydroisoalantolactone is 234.16 g/mol.
Where can I buy Dihydroisoalantolactone?
You can request a quote for Dihydroisoalantolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dihydroisoalantolactone?
Yes, KEHONG BIO provides custom synthesis services for Dihydroisoalantolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.