4-O-Methylyellamycin A
TL;DR: 4-O-Methylyellamycin A (CAS 146565-63-1) is a chemical compound with molecular formula C29H35NO9 and molecular weight 541.2312 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 4-O-Methylyellamycin A, MC 4 (lactone), 7-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-9-ethyl-9,10,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione, 3-Ethyl-3,4,5-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)hexopyranoside, 5,12-Naphthacenedione, 8-ethyl-7,8,9,10-tetrahydro-6,7,8-trihydoxy-1-methoxy-10-((2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl)oxy)-, (7R-(7alpha,8beta,10beta))-
Technical Specifications
| Molecular Formula | C29H35NO9 |
| Molecular Weight | 541.2312 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.2312 Da |
| Heavy Atoms | 39 |
| Complexity | 930.0 |
| SMILES | CCC1(CC(C2=CC3=C(C(=C2C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)OC5CC(C(C(O5)C)O)N(C)C)O |
| InChIKey | XZADFAXSPDJHAH-UHFFFAOYSA-N |
Chemical Property Profile of 4-O-Methylyellamycin A
Property Insights of 4-O-Methylyellamycin A
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-O-Methylyellamycin A. The TPSA of 146.0 Ų indicates high polarity, suggesting 4-O-Methylyellamycin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-O-Methylyellamycin A has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-O-Methylyellamycin A?
The CAS number of 4-O-Methylyellamycin A is 146565-63-1.
What is the molecular formula of 4-O-Methylyellamycin A?
The molecular formula of 4-O-Methylyellamycin A is C29H35NO9.
What is the molecular weight of 4-O-Methylyellamycin A?
The molecular weight of 4-O-Methylyellamycin A is 541.2312 g/mol.
Where can I buy 4-O-Methylyellamycin A?
You can request a quote for 4-O-Methylyellamycin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-O-Methylyellamycin A?
Yes, CoreyChem provides custom synthesis services for 4-O-Methylyellamycin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.