紫檀素
TL;DR: 紫檀素 (CAS 524-97-0) is a chemical compound with molecular formula C17H14O5 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
紫檀素
(1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
Also Known As: Pterocarpin, Pterocarpine, (-)-Pterocarpin, 3-Methoxy maackiain, (-)-cis-Pterocarpin
| Molecular Formula | C17H14O5 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 3.0336 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.08414 |
| Heavy Atoms | 22 |
| Complexity | 769.8849 |
Chemical Identifiers
| CAS Number | 524-97-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)[C@H]3[C@@H](CO2)C4=CC5=C(C=C4O3)OCO5 |
Product Overview
紫檀素 (CAS 524-97-0), with molecular formula C17H14O5 and molecular weight 298.08 g/mol. IUPAC: (1R,12R)-16-methoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene.
Chemical Property Profile of 紫檀素
Property Insights of 紫檀素
The XLogP value of 3.0336 indicates that 紫檀素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.15 Ų, 紫檀素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 紫檀素 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 紫檀素?
The CAS number of 紫檀素 is 524-97-0.
What is the molecular formula of 紫檀素?
The molecular formula of 紫檀素 is C17H14O5.
What is the molecular weight of 紫檀素?
The molecular weight of 紫檀素 is 298.08 g/mol.
Where can I buy 紫檀素?
You can request a quote for 紫檀素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 紫檀素?
Yes, KEHONG BIO provides custom synthesis services for 紫檀素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.