Cinerubine A
TL;DR: Cinerubine A (CAS 34044-10-5) is a chemical compound with molecular formula C42H53NO16 and molecular weight 827.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-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: Cinerubine A, Cinerubin A, Rhodirubin C, Tauromycetin-IV, Tavromycetin-IV
| Molecular Formula | C42H53NO16 |
|---|---|
| Molecular Weight | 827.34 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 10 |
| Exact Mass | 827.3364 |
| Heavy Atoms | 59 |
| Complexity | 1560.0 |
Chemical Identifiers
| CAS Number | 34044-10-5 |
|---|---|
| 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)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O |
| InChIKey | STUJMJDONFVTGM-CEPMKHARSA-N |
Product Overview
Cinerubine A (CAS 34044-10-5), with molecular formula C42H53NO16 and molecular weight 827.34 g/mol. IUPAC: methyl (1R,2R,4S)-4-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-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 Cinerubine A
Property Insights of Cinerubine A
The XLogP value of 4.0 indicates that Cinerubine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 237.0 Ų indicates high polarity, suggesting Cinerubine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cinerubine A has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cinerubine A?
The CAS number of Cinerubine A is 34044-10-5.
What is the molecular formula of Cinerubine A?
The molecular formula of Cinerubine A is C42H53NO16.
What is the molecular weight of Cinerubine A?
The molecular weight of Cinerubine A is 827.34 g/mol.
Where can I buy Cinerubine A?
You can request a quote for Cinerubine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinerubine A?
Yes, KEHONG BIO provides custom synthesis services for Cinerubine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.