F0580-0639
TL;DR: F0580-0639 (CAS 536710-43-7) is a chemical compound with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
Also Known As: F0580-0639, G856-1119, methyl 5-({[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}methyl)furan-2-carboxylate, methyl 5-(((3-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)methyl)furan-2-carboxylate, methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate
| Molecular Formula | C25H21N3O5S |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 4.9376 |
| Topological Polar Surface Area | 99.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.12018 |
| Heavy Atoms | 34 |
| Complexity | 1548.9276 |
Chemical Identifiers
| CAS Number | 536710-43-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC5=CC=C(O5)C(=O)OC |
Product Overview
F0580-0639 (CAS 536710-43-7), with molecular formula C25H21N3O5S and molecular weight 475.12 g/mol. IUPAC: methyl 5-[[3-(4-ethoxyphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanylmethyl]furan-2-carboxylate.
Chemical Property Profile of F0580-0639
Property Insights of F0580-0639
The XLogP value of 4.9376 indicates that F0580-0639 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.35 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0639. Following Lipinski's Rule of Five, F0580-0639 has 1 hydrogen bond donor(s) and 7 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 F0580-0639?
The CAS number of F0580-0639 is 536710-43-7.
What is the molecular formula of F0580-0639?
The molecular formula of F0580-0639 is C25H21N3O5S.
What is the molecular weight of F0580-0639?
The molecular weight of F0580-0639 is 475.12 g/mol.
Where can I buy F0580-0639?
You can request a quote for F0580-0639 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0639?
Yes, KEHONG BIO provides custom synthesis services for F0580-0639 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.