F0580-0739
TL;DR: F0580-0739 (CAS 536712-14-8) is a chemical compound with molecular formula C24H16FN3O2S and molecular weight 429.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one
Also Known As: F0580-0739, 3-(4-fluorophenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one, 3-(4-fluorophenyl)-2-((2-oxo-2-phenylethyl)thio)-3H-pyrimido[5,4-b]indol-4(5H)-one, 3-(4-FLUOROPHENYL)-2-[(2-OXO-2-PHENYLETHYL)SULFANYL]-3H,4H,5H-PYRIMIDO[5,4-B]INDOL-4-ONE
| Molecular Formula | C24H16FN3O2S |
|---|---|
| Molecular Weight | 429.09 g/mol |
| LogP | 4.9811 |
| Topological Polar Surface Area | 67.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.09473 |
| Heavy Atoms | 31 |
| Complexity | 1474.5696 |
Chemical Identifiers
| CAS Number | 536712-14-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)F)NC5=CC=CC=C53 |
Product Overview
F0580-0739 (CAS 536712-14-8), with molecular formula C24H16FN3O2S and molecular weight 429.09 g/mol. IUPAC: 3-(4-fluorophenyl)-2-phenacylsulfanyl-5H-pyrimido[5,4-b]indol-4-one.
Chemical Property Profile of F0580-0739
Property Insights of F0580-0739
The XLogP value of 4.9811 indicates that F0580-0739 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.75 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0739. Following Lipinski's Rule of Five, F0580-0739 has 1 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 F0580-0739?
The CAS number of F0580-0739 is 536712-14-8.
What is the molecular formula of F0580-0739?
The molecular formula of F0580-0739 is C24H16FN3O2S.
What is the molecular weight of F0580-0739?
The molecular weight of F0580-0739 is 429.09 g/mol.
Where can I buy F0580-0739?
You can request a quote for F0580-0739 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0739?
Yes, KEHONG BIO provides custom synthesis services for F0580-0739 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.