F0580-1015
TL;DR: F0580-1015 (CAS 536716-42-4) is a chemical compound with molecular formula C24H16F3N3O4S and molecular weight 499.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: F0580-1015, methyl 5-[({4-oxo-3-[3-(trifluoromethyl)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)methyl]furan-2-carboxylate, methyl 5-(((4-oxo-3-(3-(trifluoromethyl)phenyl)-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C24H16F3N3O4S |
|---|---|
| Molecular Weight | 499.08 g/mol |
| LogP | 5.5577 |
| Topological Polar Surface Area | 90.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.08136 |
| Heavy Atoms | 35 |
| Complexity | 1634.9031 |
Chemical Identifiers
| CAS Number | 536716-42-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CSC2=NC3=C(C(=O)N2C4=CC=CC(=C4)C(F)(F)F)NC5=CC=CC=C53 |
Product Overview
F0580-1015 (CAS 536716-42-4), with molecular formula C24H16F3N3O4S and molecular weight 499.08 g/mol. IUPAC: methyl 5-[[4-oxo-3-[3-(trifluoromethyl)phenyl]-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of F0580-1015
Property Insights of F0580-1015
The XLogP value of 5.5577 indicates that F0580-1015 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.12 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-1015. Following Lipinski's Rule of Five, F0580-1015 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F0580-1015?
The CAS number of F0580-1015 is 536716-42-4.
What is the molecular formula of F0580-1015?
The molecular formula of F0580-1015 is C24H16F3N3O4S.
What is the molecular weight of F0580-1015?
The molecular weight of F0580-1015 is 499.08 g/mol.
Where can I buy F0580-1015?
You can request a quote for F0580-1015 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-1015?
Yes, KEHONG BIO provides custom synthesis services for F0580-1015 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.