4-aminomethyl benzoic acid methyl ester
TL;DR: 4-aminomethyl benzoic acid methyl ester (CAS 184691-47-2) is a chemical compound with molecular formula C25H28N4O2 and molecular weight 416.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4H-pyrido[3,4-b]indole-1,3-dione
Also Known As: 4-aminomethyl benzoic acid methyl ester, 1H-Pyrido(3,4-b)indole-1,3(2H)-dione, 4,9-dihydro-9-methyl-2-(3-(4-phenyl-1-piperazinyl)propyl)-, 9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4H-pyrido[3,4-b]indole-1,3-dione, 1H-Pyrido[3,4-b]indole-1,3(2H)-dione, 4,9-dihydro-9-methyl-2-[3-(4-phenyl-1-piperazinyl)propyl]-, 9-METHYL-2-[3-(4-PHENYLPIPERAZIN-1-YL)PROPYL]-1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOLE-1,3-DIONE
| Molecular Formula | C25H28N4O2 |
|---|---|
| Molecular Weight | 416.22 g/mol |
| LogP | 2.9155 |
| Topological Polar Surface Area | 48.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.22122 |
| Heavy Atoms | 31 |
| Complexity | 1113.2573 |
Chemical Identifiers
| CAS Number | 184691-47-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C1C(=O)N(C(=O)C3)CCCN4CCN(CC4)C5=CC=CC=C5 |
Product Overview
4-aminomethyl benzoic acid methyl ester (CAS 184691-47-2), with molecular formula C25H28N4O2 and molecular weight 416.22 g/mol. IUPAC: 9-methyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4H-pyrido[3,4-b]indole-1,3-dione.
Chemical Property Profile of 4-aminomethyl benzoic acid methyl ester
Property Insights of 4-aminomethyl benzoic acid methyl ester
The XLogP value of 2.9155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-aminomethyl benzoic acid methyl ester. With a topological polar surface area (TPSA) of 48.79 Ų, 4-aminomethyl benzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-aminomethyl benzoic acid methyl ester has 0 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 4-aminomethyl benzoic acid methyl ester?
The CAS number of 4-aminomethyl benzoic acid methyl ester is 184691-47-2.
What is the molecular formula of 4-aminomethyl benzoic acid methyl ester?
The molecular formula of 4-aminomethyl benzoic acid methyl ester is C25H28N4O2.
What is the molecular weight of 4-aminomethyl benzoic acid methyl ester?
The molecular weight of 4-aminomethyl benzoic acid methyl ester is 416.22 g/mol.
Where can I buy 4-aminomethyl benzoic acid methyl ester?
You can request a quote for 4-aminomethyl benzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-aminomethyl benzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-aminomethyl benzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.