AB00668880-01
TL;DR: AB00668880-01 (CAS 536716-02-6) is a chemical compound with molecular formula C24H21F3N4O3S and molecular weight 502.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(oxolan-2-ylmethyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668880-01, F0580-0975, 2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide, 2-((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-((tetrahydrofuran-2-yl)methyl)acetamide, N-(oxolan-2-ylmethyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C24H21F3N4O3S |
|---|---|
| Molecular Weight | 502.13 g/mol |
| LogP | 4.2731 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.12863 |
| Heavy Atoms | 35 |
| Complexity | 1458.1918 |
Chemical Identifiers
| CAS Number | 536716-02-6 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53 |
Product Overview
AB00668880-01 (CAS 536716-02-6), with molecular formula C24H21F3N4O3S and molecular weight 502.13 g/mol. IUPAC: N-(oxolan-2-ylmethyl)-2-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668880-01
Property Insights of AB00668880-01
The XLogP value of 4.2731 indicates that AB00668880-01 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 AB00668880-01. Following Lipinski's Rule of Five, AB00668880-01 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 AB00668880-01?
The CAS number of AB00668880-01 is 536716-02-6.
What is the molecular formula of AB00668880-01?
The molecular formula of AB00668880-01 is C24H21F3N4O3S.
What is the molecular weight of AB00668880-01?
The molecular weight of AB00668880-01 is 502.13 g/mol.
Where can I buy AB00668880-01?
You can request a quote for AB00668880-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668880-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668880-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.