Withaphysalin C
TL;DR: Withaphysalin C (CAS 63704-47-2) is a chemical compound with molecular formula C28H36O7 and molecular weight 484.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
18-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-14,20-dihydroxy-5,18-dimethyl-19,21-dioxapentacyclo[12.6.1.01,17.04,13.05,10]henicosa-8,10-dien-6-one
Also Known As: Withaphysalin C, (13R,22R)-13,14, 4H-7,12a-Epoxy-1H-naphtho[1',2':5,6]cyclonona[ 1,2-c]furan-1-one,10-[(2R)-3,6- dihydro-4,5-dimethyl-6-oxo-2H-pyran-2- yl]-6,6a,7,8,9,9a,10,12,13,14,14a,14bdodecahydro- 7,12-dihydroxy-10,14bdimethyl-,(6aR,7R,9aR,10R,12aR,14aS,14bR)-, 10-(4,5-Dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-7,12-dihydroxy-10,14b-dimethyl-2,6,6a,7,8,9,9a,10,13,14,14a,14b-dodecahydro-1H,12H-7,12a-epoxynaphtho[1',2':5,6]cyclonona[1,2-c]furan-1-one, 10-(4,5-dimethyl-6-oxo-3,6-dihydro-2h-pyran-2-yl)-7,12-dihydroxy-10,14b-dimethyl-2,6,6a,7,8,9,9a,10,13,14,14a,14b-dodecahydro-1h-7,12a-epoxynaphtho[1',2':5,6]cyclonona[1,2-c]furan-1(12h)-one
| Molecular Formula | C28H36O7 |
|---|---|
| Molecular Weight | 484.25 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 484.2461 |
| Heavy Atoms | 35 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 63704-47-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C2(C3CCC4(C5CC=C6C=CCC(=O)C6(C5CCC3(O4)C(O2)O)C)O)C)C |
| InChIKey | KCDDRMMSSUETPV-UHFFFAOYSA-N |
Product Overview
Withaphysalin C (CAS 63704-47-2), with molecular formula C28H36O7 and molecular weight 484.25 g/mol. IUPAC: 18-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-14,20-dihydroxy-5,18-dimethyl-19,21-dioxapentacyclo[12.6.1.01,17.04,13.05,10]henicosa-8,10-dien-6-one.
Chemical Property Profile of Withaphysalin C
Property Insights of Withaphysalin C
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Withaphysalin C. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Withaphysalin C. Following Lipinski's Rule of Five, Withaphysalin C has 2 hydrogen bond donor(s) and 7 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 C?
The CAS number of Withaphysalin C is 63704-47-2.
What is the molecular formula of Withaphysalin C?
The molecular formula of Withaphysalin C is C28H36O7.
What is the molecular weight of Withaphysalin C?
The molecular weight of Withaphysalin C is 484.25 g/mol.
Where can I buy Withaphysalin C?
You can request a quote for Withaphysalin C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Withaphysalin C?
Yes, KEHONG BIO provides custom synthesis services for Withaphysalin C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.