2-Hydroxyaclacinomycin T
TL;DR: 2-Hydroxyaclacinomycin T (CAS 80839-98-1) is a chemical compound with molecular formula C30H35NO11 and molecular weight 585.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 2-Hydroxyaclacinomycin T, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-ethyl-2,5,7,9-tetrahydroxy-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, methyl 2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate, methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C30H35NO11 |
|---|---|
| Molecular Weight | 585.22 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 585.221 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 80839-98-1 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC(=C4)O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O |
| InChIKey | JNVDCVSXINMKGB-UHFFFAOYSA-N |
Product Overview
2-Hydroxyaclacinomycin T (CAS 80839-98-1), with molecular formula C30H35NO11 and molecular weight 585.22 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 2-Hydroxyaclacinomycin T
Property Insights of 2-Hydroxyaclacinomycin T
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyaclacinomycin T. The TPSA of 183.0 Ų indicates high polarity, suggesting 2-Hydroxyaclacinomycin T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxyaclacinomycin T has 5 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 2-Hydroxyaclacinomycin T?
The CAS number of 2-Hydroxyaclacinomycin T is 80839-98-1.
What is the molecular formula of 2-Hydroxyaclacinomycin T?
The molecular formula of 2-Hydroxyaclacinomycin T is C30H35NO11.
What is the molecular weight of 2-Hydroxyaclacinomycin T?
The molecular weight of 2-Hydroxyaclacinomycin T is 585.22 g/mol.
Where can I buy 2-Hydroxyaclacinomycin T?
You can request a quote for 2-Hydroxyaclacinomycin T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyaclacinomycin T?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyaclacinomycin T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.