Physapubenolide
TL;DR: Physapubenolide (CAS 100217-92-3) is a chemical compound with molecular formula C30H40O8 and molecular weight 528.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate
Also Known As: Physapubenolide, [15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate, 15-[1-(4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.0^{2,7}.0^{7,9}.0^{12,16}]octadec-4-en-13-yl acetate, 15a-Acetoxy-5b,6b-epoxy-4b,14b-dihydroxy-1-oxo-20S,22R-witha-2,24-dienolide, [22R,(+)]-15alpha-Acetyloxy-5,6beta-epoxy-4beta,14beta,22-trihydroxy-1-oxo-5beta-ergosta-2,24-diene-26-oic acid 26,22-lactone
| Molecular Formula | C30H40O8 |
|---|---|
| Molecular Weight | 528.27 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 528.27234 |
| Heavy Atoms | 38 |
| Complexity | 1170.0 |
Chemical Identifiers
| CAS Number | 100217-92-3 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CC(C3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)OC(=O)C)C |
| InChIKey | OPYWYTLAPWWTKW-UHFFFAOYSA-N |
Product Overview
Physapubenolide (CAS 100217-92-3), with molecular formula C30H40O8 and molecular weight 528.27 g/mol. IUPAC: [15-[1-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-6,12-dihydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-13-yl] acetate.
Chemical Property Profile of Physapubenolide
Property Insights of Physapubenolide
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Physapubenolide. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Physapubenolide. Following Lipinski's Rule of Five, Physapubenolide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Physapubenolide?
The CAS number of Physapubenolide is 100217-92-3.
What is the molecular formula of Physapubenolide?
The molecular formula of Physapubenolide is C30H40O8.
What is the molecular weight of Physapubenolide?
The molecular weight of Physapubenolide is 528.27 g/mol.
Where can I buy Physapubenolide?
You can request a quote for Physapubenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Physapubenolide?
Yes, KEHONG BIO provides custom synthesis services for Physapubenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.