AB00668824-01
TL;DR: AB00668824-01 (CAS 536705-62-1) is a chemical compound with molecular formula C27H21F3N4O3S and molecular weight 538.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: AB00668824-01, F0580-0315, 2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(4-(trifluoromethoxy)phenyl)acetamide, 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
| Molecular Formula | C27H21F3N4O3S |
|---|---|
| Molecular Weight | 538.13 g/mol |
| LogP | 6.11324 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 538.12866 |
| Heavy Atoms | 38 |
| Complexity | 1706.5197 |
Chemical Identifiers
| CAS Number | 536705-62-1 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=C(C=C5)OC(F)(F)F)C |
Product Overview
AB00668824-01 (CAS 536705-62-1), with molecular formula C27H21F3N4O3S and molecular weight 538.13 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of AB00668824-01
Property Insights of AB00668824-01
The XLogP value of 6.11324 indicates that AB00668824-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.01 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00668824-01. Following Lipinski's Rule of Five, AB00668824-01 has 2 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 AB00668824-01?
The CAS number of AB00668824-01 is 536705-62-1.
What is the molecular formula of AB00668824-01?
The molecular formula of AB00668824-01 is C27H21F3N4O3S.
What is the molecular weight of AB00668824-01?
The molecular weight of AB00668824-01 is 538.13 g/mol.
Where can I buy AB00668824-01?
You can request a quote for AB00668824-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668824-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668824-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.