(+)-Withaphysalin D
TL;DR: (+)-Withaphysalin D (CAS 91599-21-2) is a chemical compound with molecular formula C28H34O6 and molecular weight 466.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-diene-8,14-dione
Also Known As: Withaphysalin D, (+)-Withaphysalin D, (1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-diene-8,14-dione, (22R)-14,20,22-Trihydroxy-1-oxoergosta-3,5,24-triene-18,26-dioic acid 18,20:26,22-dilactone
| Molecular Formula | C28H34O6 |
|---|---|
| Molecular Weight | 466.24 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 466.23553 |
| Heavy Atoms | 34 |
| Complexity | 1110.0 |
Chemical Identifiers
| CAS Number | 91599-21-2 |
|---|---|
| SMILES | CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@@]4(C3(CC[C@H]5[C@H]4CC=C6[C@@]5(C(=O)CC=C6)C)C(=O)O2)O)C)C |
| InChIKey | LNINXSFPCHLADE-OZKLRMFXSA-N |
Product Overview
(+)-Withaphysalin D (CAS 91599-21-2), with molecular formula C28H34O6 and molecular weight 466.24 g/mol. IUPAC: (1R,2R,5S,6R,12S,13R)-6-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-2-hydroxy-6,13-dimethyl-7-oxapentacyclo[10.8.0.02,9.05,9.013,18]icosa-16,18-diene-8,14-dione.
Chemical Property Profile of (+)-Withaphysalin D
Property Insights of (+)-Withaphysalin D
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-Withaphysalin D. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-Withaphysalin D. Following Lipinski's Rule of Five, (+)-Withaphysalin D 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 (+)-Withaphysalin D?
The CAS number of (+)-Withaphysalin D is 91599-21-2.
What is the molecular formula of (+)-Withaphysalin D?
The molecular formula of (+)-Withaphysalin D is C28H34O6.
What is the molecular weight of (+)-Withaphysalin D?
The molecular weight of (+)-Withaphysalin D is 466.24 g/mol.
Where can I buy (+)-Withaphysalin D?
You can request a quote for (+)-Withaphysalin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-Withaphysalin D?
Yes, KEHONG BIO provides custom synthesis services for (+)-Withaphysalin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.