![2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid structure](/static/products/6917/6917-97-1.webp)
2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
TL;DR: 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid (CAS 6917-97-1) is a chemical compound with molecular formula C28H23NO12 and molecular weight 565.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
Also Known As: 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid, N-(1,5,6,9,11,14-Hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carbonyl)alanine
| Molecular Formula | C28H23NO12 |
|---|---|
| Molecular Weight | 565.12 g/mol |
| LogP | 1.55172 |
| Topological Polar Surface Area | 231.15 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 565.122 |
| Heavy Atoms | 41 |
| Complexity | 1741.2227 |
Chemical Identifiers
| CAS Number | 6917-97-1 |
|---|---|
| SMILES | CC1=CC2=C(C3=C(C(C2O)O)C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC(=C5)O)O)OC)C(=C1C(=O)NC(C)C(=O)O)O |
Product Overview
2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid (CAS 6917-97-1), with molecular formula C28H23NO12 and molecular weight 565.12 g/mol. IUPAC: 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid.
Chemical Property Profile of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
Property Insights of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid
The XLogP value of 1.55172 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid. The TPSA of 231.15 Ų indicates high polarity, suggesting 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid?
The CAS number of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid is 6917-97-1.
What is the molecular formula of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid?
The molecular formula of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid is C28H23NO12.
What is the molecular weight of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid?
The molecular weight of 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid is 565.12 g/mol.
Where can I buy 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid?
You can request a quote for 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1,5,6,9,11,14-hexahydroxy-7-methoxy-3-methyl-8,13-dioxo-5,6-dihydrobenzo[a]tetracene-2-carbonyl)amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.