![amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium structure](/static/products/7816/781661-94-7.webp)
amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium
TL;DR: amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium (CAS 781661-94-7) is a chemical compound with molecular formula C26H27N4O3+ and molecular weight 443.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium
[amino-[7-[2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-2-carboxyethyl]naphthalen-2-yl]methylidene]azanium
Also Known As: DX9056A, YM155, [amino-[7-[2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-3-hydroxy-3-oxopropyl]naphthalen-2-yl]methylidene]azanium, 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide (1:1), amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium
| Molecular Formula | C26H27N4O3+ |
|---|---|
| Molecular Weight | 443.21 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.2083 |
| Heavy Atoms | 33 |
| Complexity | 675.0 |
Chemical Identifiers
| CAS Number | 781661-94-7 |
|---|---|
| SMILES | CC(N)N1C=CC(=C1)OC2=CC=C(C=C2)C(CC3=CC4=C(C=C3)C=CC(=C4)C(=[NH2+])N)C(=O)O |
| InChIKey | FCZIGLIZRGMDGN-UHFFFAOYSA-O |
Product Overview
amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium (CAS 781661-94-7), with molecular formula C26H27N4O3+ and molecular weight 443.21 g/mol. IUPAC: [amino-[7-[2-[4-[1-(1-aminoethyl)pyrrol-3-yl]oxyphenyl]-2-carboxyethyl]naphthalen-2-yl]methylidene]azanium.
Chemical Property Profile of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium
Property Insights of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium. Following Lipinski's Rule of Five, amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium?
The CAS number of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium is 781661-94-7.
What is the molecular formula of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium?
The molecular formula of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium is C26H27N4O3+.
What is the molecular weight of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium?
The molecular weight of amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium is 443.21 g/mol.
Where can I buy amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium?
You can request a quote for amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium?
Yes, KEHONG BIO provides custom synthesis services for amino{7-[2-(4-{[1-(1-aminoethyl)-1H-pyrrol-3-yl]oxy}phenyl)-2-carboxyethyl]naphthalen-2-yl}methaniminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.