AGGA
TL;DR: AGGA (CAS 110340-32-4) is a chemical compound with molecular formula C40H42FeN11O4+ and molecular weight 796.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[[4-[[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]amino]-4-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-[(2-aminoethylamino)methyl]pyridine-2-carboximidate;iron(2+)
Also Known As: AGGA, (N-(2-((4-((2-((4-(9-Acridinylamino)phenyl)amino)-2-oxoethyl)amino)-4-oxobutyl)amino)-1-(1H-imidazol-4-ylmethyl)-1-oxoethyl)-6-(((-2-aminoethyl)amino)methyl)-2-pyridinecarboxamidato) iron(1+), Iron(1+), (N-(2-((4-((2-((4-(9-acridinylamino)phenyl)amino)-2-oxoethyl)amino)-4-oxobutyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-6-(((2-aminoethyl)amino)methyl)-2-pyridinecarboxamidato)-, (SP-5-52-(S))-, N-[1-[[4-[[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]amino]-4-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-[(2-aminoethylamino)methyl]pyridine-2-carboximidate; iron(2+), N-[1-[[4-[[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]amino]-4-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-[(2-aminoethylamino)methyl]pyridine-2-carboximidate;iron(2+)
| Molecular Formula | C40H42FeN11O4+ |
|---|---|
| Molecular Weight | 796.28 g/mol |
| LogP | 2.665 |
| Topological Polar Surface Area | 227.26 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 18 |
| Exact Mass | 796.27704 |
| Heavy Atoms | 56 |
| Complexity | 2213.06 |
Chemical Identifiers
| CAS Number | 110340-32-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NC(=O)CNC(=O)CCCNC(=O)C(CC5=CN=CN5)N=C(C6=CC=CC(=N6)CNCCN)[O-].[Fe+2] |
Product Overview
AGGA (CAS 110340-32-4), with molecular formula C40H42FeN11O4+ and molecular weight 796.28 g/mol. IUPAC: N-[1-[[4-[[2-[4-(acridin-9-ylamino)anilino]-2-oxoethyl]amino]-4-oxobutyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-6-[(2-aminoethylamino)methyl]pyridine-2-carboximidate;iron(2+).
Chemical Property Profile of AGGA
Property Insights of AGGA
The XLogP value of 2.665 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AGGA. The TPSA of 227.26 Ų indicates high polarity, suggesting AGGA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AGGA has 7 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 AGGA?
The CAS number of AGGA is 110340-32-4.
What is the molecular formula of AGGA?
The molecular formula of AGGA is C40H42FeN11O4+.
What is the molecular weight of AGGA?
The molecular weight of AGGA is 796.28 g/mol.
Where can I buy AGGA?
You can request a quote for AGGA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AGGA?
Yes, KEHONG BIO provides custom synthesis services for AGGA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.