AB00668816-01
TL;DR: AB00668816-01 (CAS 536704-55-9) is a chemical compound with molecular formula C25H19FN4O2S and molecular weight 458.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: AB00668816-01, F0580-0208, N-(2-fluorophenyl)-2-{[3-(4-methylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(2-fluorophenyl)-2-((4-oxo-3-(p-tolyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(2-fluorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C25H19FN4O2S |
|---|---|
| Molecular Weight | 458.12 g/mol |
| LogP | 5.04532 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.12128 |
| Heavy Atoms | 33 |
| Complexity | 1557.0894 |
Chemical Identifiers
| CAS Number | 536704-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=CC=CC=C5F |
Product Overview
AB00668816-01 (CAS 536704-55-9), with molecular formula C25H19FN4O2S and molecular weight 458.12 g/mol. IUPAC: N-(2-fluorophenyl)-2-[[3-(4-methylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of AB00668816-01
Property Insights of AB00668816-01
The XLogP value of 5.04532 indicates that AB00668816-01 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 AB00668816-01. Following Lipinski's Rule of Five, AB00668816-01 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 AB00668816-01?
The CAS number of AB00668816-01 is 536704-55-9.
What is the molecular formula of AB00668816-01?
The molecular formula of AB00668816-01 is C25H19FN4O2S.
What is the molecular weight of AB00668816-01?
The molecular weight of AB00668816-01 is 458.12 g/mol.
Where can I buy AB00668816-01?
You can request a quote for AB00668816-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00668816-01?
Yes, KEHONG BIO provides custom synthesis services for AB00668816-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.