Calbistrin A
TL;DR: Calbistrin A (CAS 147384-55-2) is a chemical compound with molecular formula C31H40O8 and molecular weight 540.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E,6E,8E)-12-[[(3R,4aS,8R,10S,10aS,10bR)-3-hydroxy-4a,8,10b-trimethyl-1-oxo-2,3,8,9,10,10a-hexahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid
Also Known As: Calbistrin A, 2,4,6,8-Dodecatetraenedioic acid, 10-hydroxy-5,9,11-trimethyl-, 12-(2,3,4a,8,9,10,10a,10b-octahydro-3-hydroxy-4a,8,10b-trimethyl-1-oxo-1H-naphtho(2,1-b)pyran-10-yl) ester, (2E,4E,6E,8E)-12-[[(3R,4aS,8R,10S,10aS,10bR)-3-hydroxy-4a,8,10b-trimethyl-1-oxo-2,3,8,9,10,10a-hexahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid, (2E,4E,6E,8E)-12-(((3R,4aS,8R,10S,10aS,10bR)-3-hydroxy-4a,8,10b-trimethyl-1-oxo-2,3,8,9,10,10a-hexahydrobenzo(f)chromen-10-yl)oxy)-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid, (2E,4E,6E,8E)-12-[[(3R,4aS,8R,10S,10aS,10bR)-3-hydroxy-4a,8,10b-trimethyl-1-oxo-2,3,8,9,10,10a-hexahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxo-dodeca-2,4,6,8-tetraenoic acid
| Molecular Formula | C31H40O8 |
|---|---|
| Molecular Weight | 540.27 g/mol |
| LogP | 4.2098 |
| Topological Polar Surface Area | 130.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.27234 |
| Heavy Atoms | 39 |
| Complexity | 1170.9692 |
Chemical Identifiers
| CAS Number | 147384-55-2 |
|---|---|
| SMILES | C[C@@H]1C[C@@H]([C@H]2C(=C1)C=C[C@]3([C@@]2(C(=O)C[C@@H](O3)O)C)C)OC(=O)C(C)C(/C(=C/C=C/C(=C/C=C/C(=O)O)/C)/C)O |
Product Overview
Calbistrin A (CAS 147384-55-2), with molecular formula C31H40O8 and molecular weight 540.27 g/mol. IUPAC: (2E,4E,6E,8E)-12-[[(3R,4aS,8R,10S,10aS,10bR)-3-hydroxy-4a,8,10b-trimethyl-1-oxo-2,3,8,9,10,10a-hexahydrobenzo[f]chromen-10-yl]oxy]-10-hydroxy-5,9,11-trimethyl-12-oxododeca-2,4,6,8-tetraenoic acid.
Chemical Property Profile of Calbistrin A
Property Insights of Calbistrin A
The XLogP value of 4.2098 indicates that Calbistrin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Calbistrin A. Following Lipinski's Rule of Five, Calbistrin A has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calbistrin A?
The CAS number of Calbistrin A is 147384-55-2.
What is the molecular formula of Calbistrin A?
The molecular formula of Calbistrin A is C31H40O8.
What is the molecular weight of Calbistrin A?
The molecular weight of Calbistrin A is 540.27 g/mol.
Where can I buy Calbistrin A?
You can request a quote for Calbistrin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calbistrin A?
Yes, KEHONG BIO provides custom synthesis services for Calbistrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.