F0580-0119
TL;DR: F0580-0119 (CAS 536703-64-7) is a chemical compound with molecular formula C26H22N4O2S and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
Also Known As: F0580-0119, N-(2,5-dimethylphenyl)-2-({4-oxo-3-phenyl-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetamide, N-(2,5-dimethylphenyl)-2-((4-oxo-3-phenyl-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(2,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide
| Molecular Formula | C26H22N4O2S |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.21464 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 454.14636 |
| Heavy Atoms | 33 |
| Complexity | 1553.9742 |
Chemical Identifiers
| CAS Number | 536703-64-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC=CC=C4)NC5=CC=CC=C53 |
Product Overview
F0580-0119 (CAS 536703-64-7), with molecular formula C26H22N4O2S and molecular weight 454.15 g/mol. IUPAC: N-(2,5-dimethylphenyl)-2-[(4-oxo-3-phenyl-5H-pyrimido[5,4-b]indol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of F0580-0119
Property Insights of F0580-0119
The XLogP value of 5.21464 indicates that F0580-0119 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 F0580-0119. Following Lipinski's Rule of Five, F0580-0119 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 F0580-0119?
The CAS number of F0580-0119 is 536703-64-7.
What is the molecular formula of F0580-0119?
The molecular formula of F0580-0119 is C26H22N4O2S.
What is the molecular weight of F0580-0119?
The molecular weight of F0580-0119 is 454.15 g/mol.
Where can I buy F0580-0119?
You can request a quote for F0580-0119 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0119?
Yes, KEHONG BIO provides custom synthesis services for F0580-0119 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.