AB00668875-01
TL;DR: AB00668875-01 (CAS 536715-73-8) is a chemical compound with molecular formula C29H24F3N5O2S and molecular weight 563.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
Also Known As: AB00668875-01, F0580-0947, 2-{[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl}-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-4-one, 2-((2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)thio)-3-(3-(trifluoromethyl)phenyl)-3H-pyrimido[5,4-b]indol-4(5H)-one, 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one
| Molecular Formula | C29H24F3N5O2S |
|---|---|
| Molecular Weight | 563.16 g/mol |
| LogP | 5.3267 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 563.1603 |
| Heavy Atoms | 40 |
| Complexity | 1759.2135 |
Chemical Identifiers
| CAS Number | 536715-73-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC(=C5)C(F)(F)F)NC6=CC=CC=C64 |
Product Overview
AB00668875-01 (CAS 536715-73-8), with molecular formula C29H24F3N5O2S and molecular weight 563.16 g/mol. IUPAC: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of AB00668875-01
Property Insights of AB00668875-01
The XLogP value of 5.3267 indicates that AB00668875-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668875-01. Following Lipinski's Rule of Five, AB00668875-01 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668875-01?
The CAS number of AB00668875-01 is 536715-73-8.
What is the molecular formula of AB00668875-01?
The molecular formula of AB00668875-01 is C29H24F3N5O2S.
What is the molecular weight of AB00668875-01?
The molecular weight of AB00668875-01 is 563.16 g/mol.
Where can I buy AB00668875-01?
You can request a quote for AB00668875-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668875-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668875-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.