Rhodirubin B
TL;DR: Rhodirubin B (CAS 64502-82-5) is a chemical compound with molecular formula C42H55NO15 and molecular weight 813.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: Rhodirubin B, HY-N14619, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-4-((2,3,6-trideoxy-3-(dimethylamino)-4-O-((2S-(2-alpha,5-beta(2R*,5R*,6R*),6-beta))-tetrahydro-6-methyl-5-((tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl)oxy)-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, (1R)-1,2,3,4,6,11-Hexahydro-2-ethyl-2alpha,5,7,10-tetrahydroxy-6,11-dioxo-4alpha-[[4-O-[(2S)-tetrahydro-6alpha-methyl-5alpha-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-2H-pyran-2beta-yl]-3-(dimethylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-1beta-naphthacenecarboxylic acid methyl ester, (1R,2R,4S)-2beta-Ethyl-1,2,3,4,6,11-hexahydro-2,5,7,10-tetrahydroxy-6,11-dioxo-4alpha-[[4-O-[(2S,5S,6S)-tetrahydro-6-methyl-5-[[(2S,5S,6S)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2beta-yl]oxy]-2H-pyran-2beta-yl]-3-dimethylamino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-1beta-naphthacenecarboxylic acid methyl ester
| Molecular Formula | C42H55NO15 |
|---|---|
| Molecular Weight | 813.36 g/mol |
| LogP | 3.6843 |
| Topological Polar Surface Area | 220.21 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 9 |
| Exact Mass | 813.3572 |
| Heavy Atoms | 58 |
| Complexity | 1918.9303 |
Chemical Identifiers
| CAS Number | 64502-82-5 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6CC[C@@H]([C@@H](O6)C)O[C@H]7CC[C@@H]([C@@H](O7)C)O)N(C)C)O |
Product Overview
Rhodirubin B (CAS 64502-82-5), with molecular formula C42H55NO15 and molecular weight 813.36 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,5S,6S)-5-[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,10-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of Rhodirubin B
Property Insights of Rhodirubin B
The XLogP value of 3.6843 indicates that Rhodirubin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 220.21 Ų indicates high polarity, suggesting Rhodirubin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rhodirubin B has 5 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 Rhodirubin B?
The CAS number of Rhodirubin B is 64502-82-5.
What is the molecular formula of Rhodirubin B?
The molecular formula of Rhodirubin B is C42H55NO15.
What is the molecular weight of Rhodirubin B?
The molecular weight of Rhodirubin B is 813.36 g/mol.
Where can I buy Rhodirubin B?
You can request a quote for Rhodirubin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rhodirubin B?
Yes, KEHONG BIO provides custom synthesis services for Rhodirubin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.