Cinerubin R
TL;DR: Cinerubin R (CAS 147657-35-0) is a chemical compound with molecular formula C42H51NO15 and molecular weight 809.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Cinerubin R, Cinerubin, methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate, 4''-Aculosyl-4'-rhodinosyl-7-rhodosaminyl-epsilon-pyrromycinone, 1-Naphthacenecarboxylic acid, 2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,4-trideoxy-4-O-(5-((5,6-dihydro-6-methyl-5-oxo-2H-pyran-2-yl)oxy)tetrahydro-6-methyl-2H-pyran-2-yl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (2R-(2alpha(1R*,2R*,4S*),5beta(2R*,6S*),6beta))-
| Molecular Formula | C42H51NO15 |
|---|---|
| Molecular Weight | 809.33 g/mol |
| LogP | 3.6685 |
| Topological Polar Surface Area | 217.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 809.32587 |
| Heavy Atoms | 58 |
| Complexity | 2013.6062 |
Chemical Identifiers
| CAS Number | 147657-35-0 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CCC(C(O6)C)OC7C=CC(=O)C(O7)C)N(C)C)O |
Product Overview
Cinerubin R (CAS 147657-35-0), with molecular formula C42H51NO15 and molecular weight 809.33 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-6-methyl-5-[6-methyl-5-[(6-methyl-5-oxo-2H-pyran-2-yl)oxy]oxan-2-yl]oxyoxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Cinerubin R
Property Insights of Cinerubin R
The XLogP value of 3.6685 indicates that Cinerubin R is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 217.05 Ų indicates high polarity, suggesting Cinerubin R may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinerubin R has 4 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cinerubin R?
The CAS number of Cinerubin R is 147657-35-0.
What is the molecular formula of Cinerubin R?
The molecular formula of Cinerubin R is C42H51NO15.
What is the molecular weight of Cinerubin R?
The molecular weight of Cinerubin R is 809.33 g/mol.
Where can I buy Cinerubin R?
You can request a quote for Cinerubin R directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinerubin R?
Yes, KEHONG BIO provides custom synthesis services for Cinerubin R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.