10-Descarbomethoxy marcellomycin
TL;DR: 10-Descarbomethoxy marcellomycin (CAS 70135-18-1) is a chemical compound with molecular formula C40H53NO15 and molecular weight 787.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 10-Descarbomethoxy marcellomycin, 10-Descarbomethoxymarcellomycin, 2-Cyclohexene-1-thione,5,5-dimethyl-3-[(4-methylphenyl)amino], 5,12-Naphthacenedione, 7-((O-2,6-dideoxy-alpha-L-lyxo-hexapyranosyl-(1-4)-O-2,6-dideoxy-alpha-L-lyxo-hexopyranosyl-(1-4)-2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-9-ethyl-7,8,9,10-tetrahydro-1,4,6,9-tetrahydroxy-, (7S-cis)-, 7-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
| Molecular Formula | C40H53NO15 |
|---|---|
| Molecular Weight | 787.34 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 234.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 787.3415 |
| Heavy Atoms | 56 |
| Complexity | 1400.0 |
Chemical Identifiers
| CAS Number | 70135-18-1 |
|---|---|
| SMILES | CCC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O |
| InChIKey | XXXOZKHMRPFXLH-UHFFFAOYSA-N |
Product Overview
10-Descarbomethoxy marcellomycin (CAS 70135-18-1), with molecular formula C40H53NO15 and molecular weight 787.34 g/mol. IUPAC: 7-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-(dimethylamino)-6-methyloxan-2-yl]oxy-9-ethyl-1,4,6,9-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione.
Chemical Property Profile of 10-Descarbomethoxy marcellomycin
Property Insights of 10-Descarbomethoxy marcellomycin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Descarbomethoxy marcellomycin. The TPSA of 234.0 Ų indicates high polarity, suggesting 10-Descarbomethoxy marcellomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 10-Descarbomethoxy marcellomycin has 7 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 10-Descarbomethoxy marcellomycin?
The CAS number of 10-Descarbomethoxy marcellomycin is 70135-18-1.
What is the molecular formula of 10-Descarbomethoxy marcellomycin?
The molecular formula of 10-Descarbomethoxy marcellomycin is C40H53NO15.
What is the molecular weight of 10-Descarbomethoxy marcellomycin?
The molecular weight of 10-Descarbomethoxy marcellomycin is 787.34 g/mol.
Where can I buy 10-Descarbomethoxy marcellomycin?
You can request a quote for 10-Descarbomethoxy marcellomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Descarbomethoxy marcellomycin?
Yes, KEHONG BIO provides custom synthesis services for 10-Descarbomethoxy marcellomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.