Elsinochrome B
TL;DR: Elsinochrome B (CAS 100829-47-8) is a chemical compound with molecular formula C30H26O10 and molecular weight 546.1526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-acetyl-9,16-dihydroxy-13-(1-hydroxyethyl)-5,10,15,20-tetramethoxyhexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4(21),5,9,15,17(22),19-nonaene-7,18-dione
Also Known As: Elsinochrome B, NCI60_025145, acetyl-dihydroxy-(1-hydroxyethyl)-tetramethoxy-[?]dione, 12-acetyl-9,16-dihydroxy-13-(1-hydroxyethyl)-5,10,15,20-tetramethoxyhexacyclo[12.8.0.02,11.03,8.04,21.017,22]docosa-1(14),2(11),3(8),4(21),5,9,15,17(22),19-nonaene-7,18-dione, 1-Acetyl-5,10-dihydroxy-2-(1-hydroxyethyl)-3,7,8,12-tetramethoxy-1,2-dihydrobenzo[ghi]perylene-4,11-dione
Technical Specifications
| Molecular Formula | C30H26O10 |
| Molecular Weight | 546.1526 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.1526 Da |
| Heavy Atoms | 40 |
| Complexity | 1160.0 |
| SMILES | CC(C1C(C2=C3C4=C1C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(=O)C)O |
| InChIKey | XOLHPTZQLUNXFP-UHFFFAOYSA-N |
Chemical Property Profile of Elsinochrome B
Property Insights of Elsinochrome B
The XLogP value of 3.4 indicates that Elsinochrome B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Elsinochrome B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Elsinochrome B has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Elsinochrome B?
The CAS number of Elsinochrome B is 100829-47-8.
What is the molecular formula of Elsinochrome B?
The molecular formula of Elsinochrome B is C30H26O10.
What is the molecular weight of Elsinochrome B?
The molecular weight of Elsinochrome B is 546.1526 g/mol.
Where can I buy Elsinochrome B?
You can request a quote for Elsinochrome B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Elsinochrome B?
Yes, CoreyChem provides custom synthesis services for Elsinochrome B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.