10-Decarbomethoxyaclacinomycin A
TL;DR: 10-Decarbomethoxyaclacinomycin A (CAS 76741-55-4) is a chemical compound with molecular formula C40H51NO13 and molecular weight 753.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: N-Bz-Tyr-Ala-OH, 10-Decarbomethoxyaclacinomycin A, 7-epi-10-Decarbomethoxyaclacinomycin A, 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-1,8,11-trihydroxy-10-((2,3,6-trideoxy-4-O-(2,6-dideoxy-4-O-((2R-trans)-tetrahydro-6-methyl-5-oxo-2H-pyran-2-yl)-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (8S-cis)-, 10-[4-dimethylamino-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxo-oxan-2-yl)oxy-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-8-ethyl-1,8,11-trihydroxy-9,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C40H51NO13 |
|---|---|
| Molecular Weight | 753.34 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 191.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 753.33606 |
| Heavy Atoms | 54 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 76741-55-4 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O |
| InChIKey | OXPCRXLITLBLEY-UHFFFAOYSA-N |
Product Overview
10-Decarbomethoxyaclacinomycin A (CAS 76741-55-4), with molecular formula C40H51NO13 and molecular weight 753.34 g/mol. IUPAC: 7-[4-(dimethylamino)-5-[4-hydroxy-6-methyl-5-(6-methyl-5-oxooxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-9-ethyl-4,6,9-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 10-Decarbomethoxyaclacinomycin A
Property Insights of 10-Decarbomethoxyaclacinomycin A
The XLogP value of 3.7 indicates that 10-Decarbomethoxyaclacinomycin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 191.0 Ų indicates high polarity, suggesting 10-Decarbomethoxyaclacinomycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Decarbomethoxyaclacinomycin A has 4 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 10-Decarbomethoxyaclacinomycin A?
The CAS number of 10-Decarbomethoxyaclacinomycin A is 76741-55-4.
What is the molecular formula of 10-Decarbomethoxyaclacinomycin A?
The molecular formula of 10-Decarbomethoxyaclacinomycin A is C40H51NO13.
What is the molecular weight of 10-Decarbomethoxyaclacinomycin A?
The molecular weight of 10-Decarbomethoxyaclacinomycin A is 753.34 g/mol.
Where can I buy 10-Decarbomethoxyaclacinomycin A?
You can request a quote for 10-Decarbomethoxyaclacinomycin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Decarbomethoxyaclacinomycin A?
Yes, KEHONG BIO provides custom synthesis services for 10-Decarbomethoxyaclacinomycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.