13-Methylaclacinomycin T
TL;DR: 13-Methylaclacinomycin T (CAS 78776-22-4) is a chemical compound with molecular formula C31H37NO10 and molecular weight 583.24 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-2,5,7-trihydroxy-6,11-dioxo-2-propan-2-yl-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 13-Methylaclacinomycin T, 1-Naphthacenecarboxylic acid, 1,2,3,4,6,11-hexahydro-6,11-dioxo-2-(1-methylethyl)-4-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-2,5,7-trihydroxy-, methyl ester, (1R-(1-alpha,2-beta,4-beta))-, methyl 2,5,7-trihydroxy-6,11-dioxo-2-(propan-2-yl)-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-2,5,7-trihydroxy-6,11-dioxo-2-propan-2-yl-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C31H37NO10 |
|---|---|
| Molecular Weight | 583.24 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 583.24176 |
| Heavy Atoms | 42 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 78776-22-4 |
|---|---|
| SMILES | CC1C(C(CC(O1)OC2CC(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)C(=O)OC)(C(C)C)O)N(C)C)O |
| InChIKey | KPGLJSJPSGJYHG-UHFFFAOYSA-N |
Product Overview
13-Methylaclacinomycin T (CAS 78776-22-4), with molecular formula C31H37NO10 and molecular weight 583.24 g/mol. IUPAC: methyl 4-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-2,5,7-trihydroxy-6,11-dioxo-2-propan-2-yl-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 13-Methylaclacinomycin T
Property Insights of 13-Methylaclacinomycin T
The XLogP value of 3.5 indicates that 13-Methylaclacinomycin T is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting 13-Methylaclacinomycin T may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Methylaclacinomycin T has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 13-Methylaclacinomycin T?
The CAS number of 13-Methylaclacinomycin T is 78776-22-4.
What is the molecular formula of 13-Methylaclacinomycin T?
The molecular formula of 13-Methylaclacinomycin T is C31H37NO10.
What is the molecular weight of 13-Methylaclacinomycin T?
The molecular weight of 13-Methylaclacinomycin T is 583.24 g/mol.
Where can I buy 13-Methylaclacinomycin T?
You can request a quote for 13-Methylaclacinomycin T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Methylaclacinomycin T?
Yes, KEHONG BIO provides custom synthesis services for 13-Methylaclacinomycin T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.