AB00668862-01
TL;DR: AB00668862-01 (CAS 536711-54-3) is a chemical compound with molecular formula C25H16F4N4O2S and molecular weight 512.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AB00668862-01, F0580-0710, 2-{[3-(4-fluorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-((3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C25H16F4N4O2S |
|---|---|
| Molecular Weight | 512.09 g/mol |
| LogP | 5.7557 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 512.093 |
| Heavy Atoms | 36 |
| Complexity | 1659.6223 |
Chemical Identifiers
| CAS Number | 536711-54-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F)C5=CC=C(C=C5)F |
Product Overview
AB00668862-01 (CAS 536711-54-3), with molecular formula C25H16F4N4O2S and molecular weight 512.09 g/mol. IUPAC: 2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AB00668862-01
Property Insights of AB00668862-01
The XLogP value of 5.7557 indicates that AB00668862-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.78 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668862-01. Following Lipinski's Rule of Five, AB00668862-01 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00668862-01?
The CAS number of AB00668862-01 is 536711-54-3.
What is the molecular formula of AB00668862-01?
The molecular formula of AB00668862-01 is C25H16F4N4O2S.
What is the molecular weight of AB00668862-01?
The molecular weight of AB00668862-01 is 512.09 g/mol.
Where can I buy AB00668862-01?
You can request a quote for AB00668862-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668862-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668862-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.