4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate
TL;DR: 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate (CAS 140210-82-8) is a chemical compound with molecular formula C25H24Cl2N2O3 and molecular weight 470.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(3-imino-3-methoxypropyl)phenyl] 10-methylacridin-10-ium-9-carboxylate;chloride;hydrochloride
Also Known As: Mciep-mac, 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate, [4-(3-imino-3-methoxypropyl)phenyl] 10-methylacridin-10-ium-9-carboxylate chloride hydrochloride, [4-(3-imino-3-methoxypropyl)phenyl] 10-methylacridin-10-ium-9-carboxylate;chloride;hydrochloride, 9-{[4-(3-Imino-3-methoxypropyl)phenoxy]carbonyl}-10-methylacridin-10-ium chloride--hydrogen chloride (1/1/1)
| Molecular Formula | C25H24Cl2N2O3 |
|---|---|
| Molecular Weight | 470.12 g/mol |
| LogP | 2.01877 |
| Topological Polar Surface Area | 63.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.1164 |
| Heavy Atoms | 32 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 140210-82-8 |
|---|---|
| SMILES | C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=N)OC.Cl.[Cl-] |
| InChIKey | NNVQSCUJOHFWSF-UHFFFAOYSA-M |
Product Overview
4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate (CAS 140210-82-8), with molecular formula C25H24Cl2N2O3 and molecular weight 470.12 g/mol. IUPAC: [4-(3-imino-3-methoxypropyl)phenyl] 10-methylacridin-10-ium-9-carboxylate;chloride;hydrochloride.
Chemical Property Profile of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate
Property Insights of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate
The XLogP value of 2.01877 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate. The TPSA of 63.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate. Following Lipinski's Rule of Five, 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate has 2 hydrogen bond donor(s) and 5 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 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate?
The CAS number of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate is 140210-82-8.
What is the molecular formula of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate?
The molecular formula of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate is C25H24Cl2N2O3.
What is the molecular weight of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate?
The molecular weight of 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate is 470.12 g/mol.
Where can I buy 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate?
You can request a quote for 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methoxycarbonimidoylethyl)phenyl 10-methyacridinium-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.