Aurasperone C
TL;DR: Aurasperone C (CAS 41689-66-1) is a chemical compound with molecular formula C31H28O12 and molecular weight 592.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one
Also Known As: Aurasperone C, 7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one, 2,5-DIHYDROXY-6,8-DIMETHOXY-2-METHYL-10-{2,5,8-TRIHYDROXY-6-METHOXY-2-METHYL-4-OXO-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-7-YL}-2H,3H,4H-NAPHTHO[2,3-B]PYRAN-4-ONE, (7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, 2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL-, 2,2',3,3'-TETRAHYDRO-2,2',5,5',8-PENTAHYDROXY-6,6',8'-TRIMETHOXY-2,2'-DIMETHYL(7,10'-BI-4H-NAPHTHO(2,3-B)PYRAN)-4,4'-DIONE, (S)-
| Molecular Formula | C31H28O12 |
|---|---|
| Molecular Weight | 592.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 592.1581 |
| Heavy Atoms | 43 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 41689-66-1 |
|---|---|
| SMILES | CC1(CC(=O)C2=C(C3=C(C(=C(C=C3C=C2O1)O)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)CC(O5)(C)O)OC)O)O |
| InChIKey | BAIJEJFONPISHA-UHFFFAOYSA-N |
Product Overview
Aurasperone C (CAS 41689-66-1), with molecular formula C31H28O12 and molecular weight 592.16 g/mol. IUPAC: 7-(2,5-dihydroxy-6,8-dimethoxy-2-methyl-4-oxo-3H-benzo[g]chromen-10-yl)-2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one.
Chemical Property Profile of Aurasperone C
Property Insights of Aurasperone C
The XLogP value of 4.2 indicates that Aurasperone C is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 181.0 Ų indicates high polarity, suggesting Aurasperone C may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aurasperone C has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aurasperone C?
The CAS number of Aurasperone C is 41689-66-1.
What is the molecular formula of Aurasperone C?
The molecular formula of Aurasperone C is C31H28O12.
What is the molecular weight of Aurasperone C?
The molecular weight of Aurasperone C is 592.16 g/mol.
Where can I buy Aurasperone C?
You can request a quote for Aurasperone C directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aurasperone C?
Yes, KEHONG BIO provides custom synthesis services for Aurasperone C and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.