Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester
TL;DR: Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester (CAS 77293-99-3) is a chemical compound with molecular formula C23H24FN3O2 and molecular weight 393.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl 4-fluorobenzoate
Also Known As: Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester, 2-(3,4,6,7,12,12a-Hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-2(1H)-yl)ethyl 4-fluorobenzoate, BENZOIC ACID 4-FLUORO-2-(3,4,6,7,12,12A-HEXAHYDROPYRAZINO(1,2:1,6)PYRIDO[3,4-B]INDOL-2(1H)-YL)-,ETHYL ESTER, BRN 4585386, RefChem:327582
| Molecular Formula | C23H24FN3O2 |
|---|---|
| Molecular Weight | 393.19 g/mol |
| LogP | 3.2063 |
| Topological Polar Surface Area | 48.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.18524 |
| Heavy Atoms | 29 |
| Complexity | 1030.2839 |
Chemical Identifiers
| CAS Number | 77293-99-3 |
|---|---|
| SMILES | C1CN2CC3=C(CC2CN1CCOC(=O)C4=CC=C(C=C4)F)C5=CC=CC=C5N3 |
Product Overview
Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester (CAS 77293-99-3), with molecular formula C23H24FN3O2 and molecular weight 393.19 g/mol. IUPAC: 2-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)ethyl 4-fluorobenzoate.
Chemical Property Profile of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester
Property Insights of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester
The XLogP value of 3.2063 indicates that Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.57 Ų, Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester has 1 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 Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester?
The CAS number of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester is 77293-99-3.
What is the molecular formula of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester?
The molecular formula of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester is C23H24FN3O2.
What is the molecular weight of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester?
The molecular weight of Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester is 393.19 g/mol.
Where can I buy Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester?
You can request a quote for Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-fluoro-2-(3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indol-2(1H)-yl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.