紫花前胡素
TL;DR: 紫花前胡素 (CAS 130848-06-5) is a chemical compound with molecular formula C19H20O5 and molecular weight 328.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫花前胡素
[(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate
Also Known As: Decursin, (+)-Decursin, Decursinol angelate, Decursonol angelate, (S)-(+)-Decursin
| Molecular Formula | C19H20O5 |
|---|---|
| Molecular Weight | 328.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.13107 |
| Heavy Atoms | 24 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 130848-06-5 |
|---|---|
| SMILES | CC(=CC(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C)C |
| InChIKey | CUKSFECWKQBVED-INIZCTEOSA-N |
Product Overview
紫花前胡素 (CAS 130848-06-5), with molecular formula C19H20O5 and molecular weight 328.13 g/mol. IUPAC: [(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] 3-methylbut-2-enoate.
Chemical Property Profile of 紫花前胡素
Property Insights of 紫花前胡素
The XLogP value of 3.9 indicates that 紫花前胡素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 紫花前胡素. Following Lipinski's Rule of Five, 紫花前胡素 has 0 hydrogen bond donor(s) and 5 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 紫花前胡素?
The CAS number of 紫花前胡素 is 130848-06-5.
What is the molecular formula of 紫花前胡素?
The molecular formula of 紫花前胡素 is C19H20O5.
What is the molecular weight of 紫花前胡素?
The molecular weight of 紫花前胡素 is 328.13 g/mol.
Where can I buy 紫花前胡素?
You can request a quote for 紫花前胡素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫花前胡素?
Yes, KEHONG BIO provides custom synthesis services for 紫花前胡素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.