5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride
TL;DR: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride (CAS 79898-08-1) is a chemical compound with molecular formula C33H42ClNO11 and molecular weight 663.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
Also Known As: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride, 7,8,9,10-Tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride, (3S)-3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(4-methoxypiperidin-1-yl)-alpha-L-lyxo-hexopyranoside--hydrogen chloride (1/1), (9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride, 3,5,12-Trihydroxy-3-(1-hydroxyethyl)-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(4-methoxypiperidin-1-yl)hexopyranoside--hydrogen chloride (1/1)
| Molecular Formula | C33H42ClNO11 |
|---|---|
| Molecular Weight | 663.24 g/mol |
| LogP | 2.3946 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 663.2446 |
| Heavy Atoms | 46 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 79898-08-1 |
|---|---|
| SMILES | C[C@H]1[C@H]([C@H](C[C@@H](O1)OC2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N6CCC(CC6)OC)O.Cl |
| InChIKey | URYQFBKZFJQZJO-GCPFDLRKSA-N |
Product Overview
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride (CAS 79898-08-1), with molecular formula C33H42ClNO11 and molecular weight 663.24 g/mol. IUPAC: (9S)-6,9,11-trihydroxy-9-(1-hydroxyethyl)-7-[(2R,4S,5S,6S)-5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride.
Chemical Property Profile of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride
Property Insights of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride
The XLogP value of 2.3946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride. The TPSA of 175.0 Ų indicates high polarity, suggesting 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride?
The CAS number of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride is 79898-08-1.
What is the molecular formula of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride?
The molecular formula of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride is C33H42ClNO11.
What is the molecular weight of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride?
The molecular weight of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride is 663.24 g/mol.
Where can I buy 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride?
You can request a quote for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(1-hydroxyethyl)-1-methoxy-10-((2,3,6-trideoxy-3-(4-methoxy-1-piperidinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.