AB00668874-01
TL;DR: AB00668874-01 (CAS 536715-65-8) is a chemical compound with molecular formula C24H21F3N4O2S and molecular weight 486.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00668874-01, F0580-0942, 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-oxo-2-(piperidin-1-yl)ethyl)thio)-3-(3-(trifluoromethyl)phenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C24H21F3N4O2S |
|---|---|
| Molecular Weight | 486.13 g/mol |
| LogP | 4.9904 |
| Topological Polar Surface Area | 70.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 486.13373 |
| Heavy Atoms | 34 |
| Complexity | 1437.9441 |
Chemical Identifiers
| CAS Number | 536715-65-8 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53 |
Product Overview
AB00668874-01 (CAS 536715-65-8), with molecular formula C24H21F3N4O2S and molecular weight 486.13 g/mol. IUPAC: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of AB00668874-01
Property Insights of AB00668874-01
The XLogP value of 4.9904 indicates that AB00668874-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668874-01. Following Lipinski's Rule of Five, AB00668874-01 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 AB00668874-01?
The CAS number of AB00668874-01 is 536715-65-8.
What is the molecular formula of AB00668874-01?
The molecular formula of AB00668874-01 is C24H21F3N4O2S.
What is the molecular weight of AB00668874-01?
The molecular weight of AB00668874-01 is 486.13 g/mol.
Where can I buy AB00668874-01?
You can request a quote for AB00668874-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668874-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668874-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.