丹参螺缩酮内酯
TL;DR: 丹参螺缩酮内酯 (CAS 100414-80-0) is a chemical compound with molecular formula C17H16O3 and molecular weight 268.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参螺缩酮内酯
(4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
Also Known As: Dan shen spiroketal lactone, DS-Skl, Danshinspiroketallactone, Dan-shen spiroketallactone, (4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one
| Molecular Formula | C17H16O3 |
|---|---|
| Molecular Weight | 268.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 268.10995 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 100414-80-0 |
|---|---|
| SMILES | C[C@@H]1CC2(C3=C(C4=CC=CC(=C4C=C3)C)C(=O)O2)OC1 |
| InChIKey | DNLNYCCHXAULQA-YQDUUYOCSA-N |
Product Overview
丹参螺缩酮内酯 (CAS 100414-80-0), with molecular formula C17H16O3 and molecular weight 268.11 g/mol. IUPAC: (4'R)-4',6-dimethylspiro[benzo[g][2]benzofuran-3,2'-oxolane]-1-one.
Chemical Property Profile of 丹参螺缩酮内酯
Property Insights of 丹参螺缩酮内酯
The XLogP value of 3.7 indicates that 丹参螺缩酮内酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 丹参螺缩酮内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丹参螺缩酮内酯 has 0 hydrogen bond donor(s) and 3 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 丹参螺缩酮内酯?
The CAS number of 丹参螺缩酮内酯 is 100414-80-0.
What is the molecular formula of 丹参螺缩酮内酯?
The molecular formula of 丹参螺缩酮内酯 is C17H16O3.
What is the molecular weight of 丹参螺缩酮内酯?
The molecular weight of 丹参螺缩酮内酯 is 268.11 g/mol.
Where can I buy 丹参螺缩酮内酯?
You can request a quote for 丹参螺缩酮内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹参螺缩酮内酯?
Yes, KEHONG BIO provides custom synthesis services for 丹参螺缩酮内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.