27-Dehydrowithaferin A
TL;DR: 27-Dehydrowithaferin A (CAS 109357-42-8) is a chemical compound with molecular formula C28H36O6 and molecular weight 468.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde
Also Known As: 27-Dehydrowithaferin A, 27-Dwa, 4-Hydroxy-1,27-dioxo-5,6:22,27-diepoxyergosta-2,24-dien-26-al, (2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde, Ergosta-2,24-dien-26-oic acid, 5,6-epoxy-4,22-dihydroxy-1,27-dioxo-, delta-lactone, (4beta,5beta,6beta,22R)-
| Molecular Formula | C28H36O6 |
|---|---|
| Molecular Weight | 468.25 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 93.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 468.2512 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 109357-42-8 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@@H](C)[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3C[C@@H]5[C@]6([C@@]4(C(=O)C=C[C@@H]6O)C)O5)C)C=O |
| InChIKey | UZJYJCDYFRLVKM-CKNDUULBSA-N |
Product Overview
27-Dehydrowithaferin A (CAS 109357-42-8), with molecular formula C28H36O6 and molecular weight 468.25 g/mol. IUPAC: (2R)-2-[(1S)-1-[(1S,2R,6S,7R,9R,11S,12S,15R,16S)-6-hydroxy-2,16-dimethyl-3-oxo-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-15-yl]ethyl]-4-methyl-6-oxo-2,3-dihydropyran-5-carbaldehyde.
Chemical Property Profile of 27-Dehydrowithaferin A
Property Insights of 27-Dehydrowithaferin A
The XLogP value of 3.8 indicates that 27-Dehydrowithaferin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 27-Dehydrowithaferin A. Following Lipinski's Rule of Five, 27-Dehydrowithaferin A has 1 hydrogen bond donor(s) and 6 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 27-Dehydrowithaferin A?
The CAS number of 27-Dehydrowithaferin A is 109357-42-8.
What is the molecular formula of 27-Dehydrowithaferin A?
The molecular formula of 27-Dehydrowithaferin A is C28H36O6.
What is the molecular weight of 27-Dehydrowithaferin A?
The molecular weight of 27-Dehydrowithaferin A is 468.25 g/mol.
Where can I buy 27-Dehydrowithaferin A?
You can request a quote for 27-Dehydrowithaferin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 27-Dehydrowithaferin A?
Yes, KEHONG BIO provides custom synthesis services for 27-Dehydrowithaferin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.