F0580-0331
TL;DR: F0580-0331 (CAS 536705-78-9) is a chemical compound with molecular formula C27H24N4O2S and molecular weight 468.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide
Also Known As: F0580-0331, N-benzyl-2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)acetamide, N-benzyl-2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide, N-benzyl-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide, N-benzyl-2-{[3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamide
| Molecular Formula | C27H24N4O2S |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | 4.89234 |
| Topological Polar Surface Area | 79.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 468.162 |
| Heavy Atoms | 34 |
| Complexity | 1550.7345 |
Chemical Identifiers
| CAS Number | 536705-78-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NCC5=CC=CC=C5)C |
Product Overview
F0580-0331 (CAS 536705-78-9), with molecular formula C27H24N4O2S and molecular weight 468.16 g/mol. IUPAC: N-benzyl-2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetamide.
Chemical Property Profile of F0580-0331
Property Insights of F0580-0331
The XLogP value of 4.89234 indicates that F0580-0331 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 F0580-0331. Following Lipinski's Rule of Five, F0580-0331 has 2 hydrogen bond donor(s) and 4 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 F0580-0331?
The CAS number of F0580-0331 is 536705-78-9.
What is the molecular formula of F0580-0331?
The molecular formula of F0580-0331 is C27H24N4O2S.
What is the molecular weight of F0580-0331?
The molecular weight of F0580-0331 is 468.16 g/mol.
Where can I buy F0580-0331?
You can request a quote for F0580-0331 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0331?
Yes, KEHONG BIO provides custom synthesis services for F0580-0331 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.