菜豆素
TL;DR: 菜豆素 (CAS 13401-40-6) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
菜豆素
(2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol
Also Known As: Phaseollin, Phaseolin, (-)-Phaseollin, Abyssinone I, Phaseolin fungicide
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 530.0 |
Chemical Identifiers
| CAS Number | 13401-40-6 |
|---|---|
| SMILES | CC1(C=CC2=C(O1)C=CC3=C2O[C@@H]4[C@H]3COC5=C4C=CC(=C5)O)C |
| InChIKey | LWTDZKXXJRRKDG-KXBFYZLASA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
菜豆素 (CAS 13401-40-6), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: (2R,11R)-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14(19),15,20-heptaen-7-ol.
Chemical Property Profile of 菜豆素
Property Insights of 菜豆素
The XLogP value of 3.6 indicates that 菜豆素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 菜豆素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 菜豆素 has 1 hydrogen bond donor(s) and 4 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 菜豆素?
The CAS number of 菜豆素 is 13401-40-6.
What is the molecular formula of 菜豆素?
The molecular formula of 菜豆素 is C20H18O4.
What is the molecular weight of 菜豆素?
The molecular weight of 菜豆素 is 322.12 g/mol.
Where can I buy 菜豆素?
You can request a quote for 菜豆素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 菜豆素?
Yes, KEHONG BIO provides custom synthesis services for 菜豆素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.