茶芬尼素A
TL;DR: 茶芬尼素A (CAS 5119-48-2) is a chemical compound with molecular formula C28H38O6 and molecular weight 470.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
茶芬尼素A
6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one
Also Known As: Withaferin A, Withaferine A, 6-Hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one, NSC 101088; NSC-101088; NSC101088; NSC 273757; NSC-273757; NSC273757, 4-Hydroxy-9-(1-[5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one #
| Molecular Formula | C28H38O6 |
|---|---|
| Molecular Weight | 470.27 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 470.26685 |
| Heavy Atoms | 34 |
| Complexity | 999.0 |
Chemical Identifiers
| CAS Number | 5119-48-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)CO |
| InChIKey | DBRXOUCRJQVYJQ-UHFFFAOYSA-N |
Product Overview
茶芬尼素A (CAS 5119-48-2), with molecular formula C28H38O6 and molecular weight 470.27 g/mol. IUPAC: 6-hydroxy-15-[1-[5-(hydroxymethyl)-4-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16-dimethyl-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadec-4-en-3-one.
Chemical Property Profile of 茶芬尼素A
Property Insights of 茶芬尼素A
The XLogP value of 3.8 indicates that 茶芬尼素A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 茶芬尼素A. Following Lipinski's Rule of Five, 茶芬尼素A has 2 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 茶芬尼素A?
The CAS number of 茶芬尼素A is 5119-48-2.
What is the molecular formula of 茶芬尼素A?
The molecular formula of 茶芬尼素A is C28H38O6.
What is the molecular weight of 茶芬尼素A?
The molecular weight of 茶芬尼素A is 470.27 g/mol.
Where can I buy 茶芬尼素A?
You can request a quote for 茶芬尼素A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 茶芬尼素A?
Yes, KEHONG BIO provides custom synthesis services for 茶芬尼素A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.