五味子内酯A
TL;DR: 五味子内酯A (CAS 87164-31-6) is a chemical compound with molecular formula C30H40O4 and molecular weight 464.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
五味子内酯A
8,8,13,17-tetramethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one
Also Known As: SCHISANLACTONE A, 8,8,13,17-Tetramethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one
| Molecular Formula | C30H40O4 |
|---|---|
| Molecular Weight | 464.29 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 464.29266 |
| Heavy Atoms | 34 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 87164-31-6 |
|---|---|
| SMILES | CC1=CCC(OC1=O)C(C)C2CCC3(C2(CCC4=C3CCC5C(=C4)C=CC(=O)OC5(C)C)C)C |
| InChIKey | VJNOAOVMGNCSPJ-UHFFFAOYSA-N |
Product Overview
五味子内酯A (CAS 87164-31-6), with molecular formula C30H40O4 and molecular weight 464.29 g/mol. IUPAC: 8,8,13,17-tetramethyl-16-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-6-one.
Chemical Property Profile of 五味子内酯A
Property Insights of 五味子内酯A
The XLogP value of 6.3 indicates that 五味子内酯A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 五味子内酯A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 五味子内酯A has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 五味子内酯A?
The CAS number of 五味子内酯A is 87164-31-6.
What is the molecular formula of 五味子内酯A?
The molecular formula of 五味子内酯A is C30H40O4.
What is the molecular weight of 五味子内酯A?
The molecular weight of 五味子内酯A is 464.29 g/mol.
Where can I buy 五味子内酯A?
You can request a quote for 五味子内酯A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 五味子内酯A?
Yes, KEHONG BIO provides custom synthesis services for 五味子内酯A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.