AA-516/31409039
TL;DR: AA-516/31409039 (CAS 663193-59-7) is a chemical compound with molecular formula C32H30N4O6 and molecular weight 566.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-[4-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]butanoyloxy]phenyl]phenyl]propanoic acid
Also Known As: AA-516/31409039, 3-[4'-({4-[4-({4-nitrophenyl}diazenyl)(methyl)anilino]butanoyl}oxy)[1,1'-biphenyl]-4-yl]propanoic acid, [1,1'-Biphenyl]-4-propanoic acid, 4'-[4-[methyl[4-[2-(4-nitrophenyl)diazenyl]phenyl]amino]-1-oxobutoxy]-
| Molecular Formula | C32H30N4O6 |
|---|---|
| Molecular Weight | 566.22 g/mol |
| LogP | 7.5164 |
| Topological Polar Surface Area | 134.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 566.21655 |
| Heavy Atoms | 42 |
| Complexity | 1534.4545 |
Chemical Identifiers
| CAS Number | 663193-59-7 |
|---|---|
| SMILES | CN(CCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(=O)O)C3=CC=C(C=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
AA-516/31409039 (CAS 663193-59-7), with molecular formula C32H30N4O6 and molecular weight 566.22 g/mol. IUPAC: 3-[4-[4-[4-[N-methyl-4-[(4-nitrophenyl)diazenyl]anilino]butanoyloxy]phenyl]phenyl]propanoic acid.
Chemical Property Profile of AA-516/31409039
Property Insights of AA-516/31409039
The XLogP value of 7.5164 indicates that AA-516/31409039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AA-516/31409039. Following Lipinski's Rule of Five, AA-516/31409039 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AA-516/31409039?
The CAS number of AA-516/31409039 is 663193-59-7.
What is the molecular formula of AA-516/31409039?
The molecular formula of AA-516/31409039 is C32H30N4O6.
What is the molecular weight of AA-516/31409039?
The molecular weight of AA-516/31409039 is 566.22 g/mol.
Where can I buy AA-516/31409039?
You can request a quote for AA-516/31409039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AA-516/31409039?
Yes, KEHONG BIO provides custom synthesis services for AA-516/31409039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.