![(11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione structure](/static/products/956/956043-06-4.png)
(11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
TL;DR: (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956043-06-4) is a chemical compound with molecular formula C25H14F5N3O3 and molecular weight 499.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15S)-13-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
Also Known As: (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione, (S)-2-(4-(perfluorophenoxy)phenyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
| Molecular Formula | C25H14F5N3O3 |
|---|---|
| Molecular Weight | 499.10 g/mol |
| LogP | 5.5492 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.09552 |
| Heavy Atoms | 36 |
| Complexity | 1555.3506 |
Chemical Identifiers
| CAS Number | 956043-06-4 |
|---|---|
| SMILES | C1[C@H]2C(=O)N(C(=O)N2CC3=C1C4=CC=CC=C4N3)C5=CC=C(C=C5)OC6=C(C(=C(C(=C6F)F)F)F)F |
Product Overview
(11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione (CAS 956043-06-4), with molecular formula C25H14F5N3O3 and molecular weight 499.10 g/mol. IUPAC: (15S)-13-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione.
Chemical Property Profile of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Property Insights of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
The XLogP value of 5.5492 indicates that (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione. Following Lipinski's Rule of Five, (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
The CAS number of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 956043-06-4.
What is the molecular formula of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
The molecular formula of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is C25H14F5N3O3.
What is the molecular weight of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
The molecular weight of (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione is 499.10 g/mol.
Where can I buy (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
You can request a quote for (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (11aS)-2-[4-(pentafluorophenoxy)phenyl]-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.