2-Hydroxyaclacinomycin B
TL;DR: 2-Hydroxyaclacinomycin B (CAS 85819-82-5) is a chemical compound with molecular formula C42H51NO16 and molecular weight 825.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-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 B, 2HO-Acm-B, 1-Naphthacenecarboxylic acid, 4-(((2''',3''-anhydro)-O-3,6-dideoxy-alpha-L-erythro-hexopyranos-4-ulosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-ethyl-1,2,3,4,6,11-hexahydro-2,5,7,9-tetrahydroxy-6,11-dioxo-, methyl ester, (1R-(1alpha,2beta,4beta))-, Methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7,9-tetrahydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C42H51NO16 |
|---|---|
| Molecular Weight | 825.32 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 825.3208 |
| Heavy Atoms | 59 |
| Complexity | 1610.0 |
Chemical Identifiers
| CAS Number | 85819-82-5 |
|---|---|
| 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)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O |
| InChIKey | YKOJDLMFXPQKSN-UHFFFAOYSA-N |
Product Overview
2-Hydroxyaclacinomycin B (CAS 85819-82-5), with molecular formula C42H51NO16 and molecular weight 825.32 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-[(5,14-dimethyl-6-oxo-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl)oxy]-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 B
Property Insights of 2-Hydroxyaclacinomycin B
The XLogP value of 3.5 indicates that 2-Hydroxyaclacinomycin B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting 2-Hydroxyaclacinomycin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Hydroxyaclacinomycin B has 4 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 2-Hydroxyaclacinomycin B?
The CAS number of 2-Hydroxyaclacinomycin B is 85819-82-5.
What is the molecular formula of 2-Hydroxyaclacinomycin B?
The molecular formula of 2-Hydroxyaclacinomycin B is C42H51NO16.
What is the molecular weight of 2-Hydroxyaclacinomycin B?
The molecular weight of 2-Hydroxyaclacinomycin B is 825.32 g/mol.
Where can I buy 2-Hydroxyaclacinomycin B?
You can request a quote for 2-Hydroxyaclacinomycin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyaclacinomycin B?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyaclacinomycin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.