Picrasin B acetate
TL;DR: Picrasin B acetate (CAS 30315-04-9) is a chemical compound with molecular formula C23H30O7 and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,17S)-15-methoxy-2,6,14,17-tetramethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-en-4-yl] acetate
Also Known As: Picrasin B acetate, (-)-Picrasin B acetate, (-)-2.alpha.-acetoxy-12-methoxypicras-12-ene-1,11-dione, Phenanthro[10,1-bc]pyran-1,5,11(4H)-trione, 3a,6a,7,7a,8,9,10,11a,11b,11c-decahydro-10-hydroxy-2-methoxy-3,8,11a,11c-tetramethyl-, acetate, stereoisomer; Phenanthro[10,1-bc]pyran, picras-12-ene-1,11,16-trione deriv.
| Molecular Formula | C23H30O7 |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 96.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.19916 |
| Heavy Atoms | 30 |
| Complexity | 873.0 |
Chemical Identifiers
| CAS Number | 30315-04-9 |
|---|---|
| SMILES | CC1CC(C(=O)[C@]2(C1CC3[C@@]4(C2C(=O)C(=C(C4CC(=O)O3)C)OC)C)C)OC(=O)C |
| InChIKey | XWNXCBLGFWPHOO-OGGMLMEJSA-N |
Product Overview
Picrasin B acetate (CAS 30315-04-9), with molecular formula C23H30O7 and molecular weight 418.20 g/mol. IUPAC: [(2S,17S)-15-methoxy-2,6,14,17-tetramethyl-3,11,16-trioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-14-en-4-yl] acetate.
Chemical Property Profile of Picrasin B acetate
Property Insights of Picrasin B acetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picrasin B acetate. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Picrasin B acetate. Following Lipinski's Rule of Five, Picrasin B acetate has 0 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 Picrasin B acetate?
The CAS number of Picrasin B acetate is 30315-04-9.
What is the molecular formula of Picrasin B acetate?
The molecular formula of Picrasin B acetate is C23H30O7.
What is the molecular weight of Picrasin B acetate?
The molecular weight of Picrasin B acetate is 418.20 g/mol.
Where can I buy Picrasin B acetate?
You can request a quote for Picrasin B acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picrasin B acetate?
Yes, KEHONG BIO provides custom synthesis services for Picrasin B acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.