F0580-0368
TL;DR: F0580-0368 (CAS 536706-15-7) is a chemical compound with molecular formula C27H23ClN4O3S and molecular weight 518.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-chloro-2-methoxyphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0368, N-(5-chloro-2-methoxyphenyl)-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-(5-chloro-2-methoxyphenyl)-2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-(5-chloro-2-methoxyphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
| Molecular Formula | C27H23ClN4O3S |
|---|---|
| Molecular Weight | 518.12 g/mol |
| LogP | 5.87664 |
| Topological Polar Surface Area | 89.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 518.1179 |
| Heavy Atoms | 36 |
| Complexity | 1672.396 |
Chemical Identifiers
| CAS Number | 536706-15-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=C(C=CC(=C5)Cl)OC)C |
Product Overview
F0580-0368 (CAS 536706-15-7), with molecular formula C27H23ClN4O3S and molecular weight 518.12 g/mol. IUPAC: N-(5-chloro-2-methoxyphenyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0368
Property Insights of F0580-0368
The XLogP value of 5.87664 indicates that F0580-0368 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 F0580-0368. Following Lipinski's Rule of Five, F0580-0368 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 F0580-0368?
The CAS number of F0580-0368 is 536706-15-7.
What is the molecular formula of F0580-0368?
The molecular formula of F0580-0368 is C27H23ClN4O3S.
What is the molecular weight of F0580-0368?
The molecular weight of F0580-0368 is 518.12 g/mol.
Where can I buy F0580-0368?
You can request a quote for F0580-0368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0368?
Yes, KEHONG BIO provides custom synthesis services for F0580-0368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.