![[5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid structure](/static/products/5485/5485-08-5.webp)
[5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid
TL;DR: [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid (CAS 5485-08-5) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(dimethylamino)-2-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]phenoxy]acetic acid
Also Known As: [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid
| Molecular Formula | C20H21N3O5 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 1.357 |
| Topological Polar Surface Area | 99.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.14813 |
| Heavy Atoms | 28 |
| Complexity | 877.1023 |
Chemical Identifiers
| CAS Number | 5485-08-5 |
|---|---|
| SMILES | CN(C)C1=CC(=C(C=C1)C=NN2C(=O)C3C4CC(C3C2=O)C=C4)OCC(=O)O |
Product Overview
[5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid (CAS 5485-08-5), with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol. IUPAC: 2-[5-(dimethylamino)-2-[(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)iminomethyl]phenoxy]acetic acid.
Chemical Property Profile of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid
Property Insights of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid
The XLogP value of 1.357 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid. The TPSA of 99.51 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid. Following Lipinski's Rule of Five, [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid has 1 hydrogen bond donor(s) and 6 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 [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid?
The CAS number of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid is 5485-08-5.
What is the molecular formula of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid?
The molecular formula of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid is C20H21N3O5.
What is the molecular weight of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid?
The molecular weight of [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid is 383.15 g/mol.
Where can I buy [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid?
You can request a quote for [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [5-(Dimethylamino)-2-{[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)imino]methyl}phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.