4'''-Deoxy-4'''-aminoaclacinomycin
TL;DR: 4'''-Deoxy-4'''-aminoaclacinomycin (CAS 76496-82-7) is a chemical compound with molecular formula C42H56N2O14 and molecular weight 812.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[5-(5-amino-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
Also Known As: 4'''-(R)-Aminoaclacinomycin A, 4-DAACM, 4'''-(S)-Aminoaclacinomycin A, 4'''-Deoxy-4'''-aminoaclacinomycin, methyl 4-[5-[5-(5-amino-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
| Molecular Formula | C42H56N2O14 |
|---|---|
| Molecular Weight | 812.37 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 226.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 812.37317 |
| Heavy Atoms | 58 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 76496-82-7 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(C(O7)C)N)O)N(C)C)O |
| InChIKey | JVGRZZZGUASQKZ-UHFFFAOYSA-N |
Product Overview
4'''-Deoxy-4'''-aminoaclacinomycin (CAS 76496-82-7), with molecular formula C42H56N2O14 and molecular weight 812.37 g/mol. IUPAC: methyl 4-[5-[5-(5-amino-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate.
Chemical Property Profile of 4'''-Deoxy-4'''-aminoaclacinomycin
Property Insights of 4'''-Deoxy-4'''-aminoaclacinomycin
The XLogP value of 3.5 indicates that 4'''-Deoxy-4'''-aminoaclacinomycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 226.0 Ų indicates high polarity, suggesting 4'''-Deoxy-4'''-aminoaclacinomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'''-Deoxy-4'''-aminoaclacinomycin has 5 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'''-Deoxy-4'''-aminoaclacinomycin?
The CAS number of 4'''-Deoxy-4'''-aminoaclacinomycin is 76496-82-7.
What is the molecular formula of 4'''-Deoxy-4'''-aminoaclacinomycin?
The molecular formula of 4'''-Deoxy-4'''-aminoaclacinomycin is C42H56N2O14.
What is the molecular weight of 4'''-Deoxy-4'''-aminoaclacinomycin?
The molecular weight of 4'''-Deoxy-4'''-aminoaclacinomycin is 812.37 g/mol.
Where can I buy 4'''-Deoxy-4'''-aminoaclacinomycin?
You can request a quote for 4'''-Deoxy-4'''-aminoaclacinomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'''-Deoxy-4'''-aminoaclacinomycin?
Yes, KEHONG BIO provides custom synthesis services for 4'''-Deoxy-4'''-aminoaclacinomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.