Epsilon-isorhodomycinone
TL;DR: Epsilon-isorhodomycinone (CAS 24051-08-9) is a chemical compound with molecular formula C22H20O10 and molecular weight 444.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Epsilon-isorhodomycinone, Not named, A-Isorhodomycinon, 1,11-Dihydroxyaklavinone, A-iso-rhodomycinone
| Molecular Formula | C22H20O10 |
|---|---|
| Molecular Weight | 444.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.10565 |
| Heavy Atoms | 32 |
| Complexity | 800.0 |
Chemical Identifiers
| CAS Number | 24051-08-9 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C([C@H]1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O)O |
| InChIKey | CIXXANXJCSBTFL-ACHUOPHGSA-N |
Product Overview
Epsilon-isorhodomycinone (CAS 24051-08-9), with molecular formula C22H20O10 and molecular weight 444.11 g/mol. IUPAC: methyl (1R,2R,4S)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Epsilon-isorhodomycinone
Property Insights of Epsilon-isorhodomycinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epsilon-isorhodomycinone. The TPSA of 182.0 Ų indicates high polarity, suggesting Epsilon-isorhodomycinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epsilon-isorhodomycinone has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epsilon-isorhodomycinone?
The CAS number of Epsilon-isorhodomycinone is 24051-08-9.
What is the molecular formula of Epsilon-isorhodomycinone?
The molecular formula of Epsilon-isorhodomycinone is C22H20O10.
What is the molecular weight of Epsilon-isorhodomycinone?
The molecular weight of Epsilon-isorhodomycinone is 444.11 g/mol.
Where can I buy Epsilon-isorhodomycinone?
You can request a quote for Epsilon-isorhodomycinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epsilon-isorhodomycinone?
Yes, KEHONG BIO provides custom synthesis services for Epsilon-isorhodomycinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.