F0580-0394
TL;DR: F0580-0394 (CAS 536706-41-9) is a chemical compound with molecular formula C26H22N4O4S and molecular weight 486.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-methoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0394, N-(4-methoxyphenyl)-2-((3-(3-methoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(4-methoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-(4-methoxyphenyl)-2-{[3-(3-methoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
| Molecular Formula | C26H22N4O4S |
|---|---|
| Molecular Weight | 486.14 g/mol |
| LogP | 4.615 |
| Topological Polar Surface Area | 98.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.13617 |
| Heavy Atoms | 35 |
| Complexity | 1591.4023 |
Chemical Identifiers
| CAS Number | 536706-41-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C4=CC(=CC=C4)OC)NC5=CC=CC=C53 |
Product Overview
F0580-0394 (CAS 536706-41-9), with molecular formula C26H22N4O4S and molecular weight 486.14 g/mol. IUPAC: N-(4-methoxyphenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0394
Property Insights of F0580-0394
The XLogP value of 4.615 indicates that F0580-0394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.24 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0394. Following Lipinski's Rule of Five, F0580-0394 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-0394?
The CAS number of F0580-0394 is 536706-41-9.
What is the molecular formula of F0580-0394?
The molecular formula of F0580-0394 is C26H22N4O4S.
What is the molecular weight of F0580-0394?
The molecular weight of F0580-0394 is 486.14 g/mol.
Where can I buy F0580-0394?
You can request a quote for F0580-0394 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0394?
Yes, KEHONG BIO provides custom synthesis services for F0580-0394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.