Megathyrin A
TL;DR: Megathyrin A (CAS 160791-05-9) is a chemical compound with molecular formula C20H28O5 and molecular weight 348.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,2S,5S,8R,9R,11R,15S,18R)-9,15,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
Also Known As: Megathyrin A, NCI60_027041, 1alpha,7beta,14beta-trihydroxy-ent-7alpha,20-epoxy-kaur-16-en-15-one, (1alpha,5beta,7beta,8alpha,9beta,10alpha,13alpha,14R)-1,7,14-trihydroxy-7,20-epoxykaur-16-en-15-one, (1R,2S,5S,8R,9R,11R,15S,18R)-9,15,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
| Molecular Formula | C20H28O5 |
|---|---|
| Molecular Weight | 348.19 g/mol |
| LogP | 1.4048 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.19366 |
| Heavy Atoms | 25 |
| Complexity | 685.574 |
Chemical Identifiers
| CAS Number | 160791-05-9 |
|---|---|
| SMILES | CC1(CC[C@@H]([C@]23[C@@H]1C[C@]([C@]45[C@H]2CC[C@H]([C@H]4O)C(=C)C5=O)(OC3)O)O)C |
Product Overview
Megathyrin A (CAS 160791-05-9), with molecular formula C20H28O5 and molecular weight 348.19 g/mol. IUPAC: (1R,2S,5S,8R,9R,11R,15S,18R)-9,15,18-trihydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one.
Chemical Property Profile of Megathyrin A
Property Insights of Megathyrin A
The XLogP value of 1.4048 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Megathyrin A. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Megathyrin A. Following Lipinski's Rule of Five, Megathyrin A has 3 hydrogen bond donor(s) and 5 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 Megathyrin A?
The CAS number of Megathyrin A is 160791-05-9.
What is the molecular formula of Megathyrin A?
The molecular formula of Megathyrin A is C20H28O5.
What is the molecular weight of Megathyrin A?
The molecular weight of Megathyrin A is 348.19 g/mol.
Where can I buy Megathyrin A?
You can request a quote for Megathyrin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Megathyrin A?
Yes, KEHONG BIO provides custom synthesis services for Megathyrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.