aclacinomycin S
TL;DR: aclacinomycin S (CAS 64431-69-2) is a chemical compound with molecular formula C36H45NO13 and molecular weight 699.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-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: aclacinomycin S, Aclacinomycin, Antibiotic MA 144S1, MA144 S1, Antibiotic MA-144S1
| Molecular Formula | C36H45NO13 |
|---|---|
| Molecular Weight | 699.29 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 699.28906 |
| Heavy Atoms | 50 |
| Complexity | 1270.0 |
Chemical Identifiers
| CAS Number | 64431-69-2 |
|---|---|
| SMILES | CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@@H]([C@@H](O6)C)O)O)N(C)C)O |
| InChIKey | DNZPQXXGAMXDHH-FCNQEGBTSA-N |
Product Overview
aclacinomycin S (CAS 64431-69-2), with molecular formula C36H45NO13 and molecular weight 699.29 g/mol. IUPAC: methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-4,5-dihydroxy-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 aclacinomycin S
Property Insights of aclacinomycin S
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for aclacinomycin S. The TPSA of 202.0 Ų indicates high polarity, suggesting aclacinomycin S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, aclacinomycin S has 5 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of aclacinomycin S?
The CAS number of aclacinomycin S is 64431-69-2.
What is the molecular formula of aclacinomycin S?
The molecular formula of aclacinomycin S is C36H45NO13.
What is the molecular weight of aclacinomycin S?
The molecular weight of aclacinomycin S is 699.29 g/mol.
Where can I buy aclacinomycin S?
You can request a quote for aclacinomycin S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for aclacinomycin S?
Yes, KEHONG BIO provides custom synthesis services for aclacinomycin S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.