AB00668845-01
TL;DR: AB00668845-01 (CAS 536707-99-0) is a chemical compound with molecular formula C26H18ClF3N4O3S and molecular weight 558.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668845-01, F0580-0552, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((3-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[3-(4-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
| Molecular Formula | C26H18ClF3N4O3S |
|---|---|
| Molecular Weight | 558.07 g/mol |
| LogP | 6.2786 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.07404 |
| Heavy Atoms | 38 |
| Complexity | 1732.9402 |
Chemical Identifiers
| CAS Number | 536707-99-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl |
Product Overview
AB00668845-01 (CAS 536707-99-0), with molecular formula C26H18ClF3N4O3S and molecular weight 558.07 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[3-(4-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668845-01
Property Insights of AB00668845-01
The XLogP value of 6.2786 indicates that AB00668845-01 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 AB00668845-01. Following Lipinski's Rule of Five, AB00668845-01 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 AB00668845-01?
The CAS number of AB00668845-01 is 536707-99-0.
What is the molecular formula of AB00668845-01?
The molecular formula of AB00668845-01 is C26H18ClF3N4O3S.
What is the molecular weight of AB00668845-01?
The molecular weight of AB00668845-01 is 558.07 g/mol.
Where can I buy AB00668845-01?
You can request a quote for AB00668845-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668845-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668845-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.