F0580-0880
TL;DR: F0580-0880 (CAS 536714-95-1) is a chemical compound with molecular formula C23H17ClN4O3S and molecular weight 464.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: F0580-0880, 2-((3-(4-chlorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-{[3-(4-chlorophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide, 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C23H17ClN4O3S |
|---|---|
| Molecular Weight | 464.07 g/mol |
| LogP | 4.5219 |
| Topological Polar Surface Area | 92.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.07098 |
| Heavy Atoms | 32 |
| Complexity | 1473.4929 |
Chemical Identifiers
| CAS Number | 536714-95-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)N(C(=N3)SCC(=O)NCC4=CC=CO4)C5=CC=C(C=C5)Cl |
Product Overview
F0580-0880 (CAS 536714-95-1), with molecular formula C23H17ClN4O3S and molecular weight 464.07 g/mol. IUPAC: 2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of F0580-0880
Property Insights of F0580-0880
The XLogP value of 4.5219 indicates that F0580-0880 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0880. Following Lipinski's Rule of Five, F0580-0880 has 2 hydrogen bond donor(s) and 5 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 F0580-0880?
The CAS number of F0580-0880 is 536714-95-1.
What is the molecular formula of F0580-0880?
The molecular formula of F0580-0880 is C23H17ClN4O3S.
What is the molecular weight of F0580-0880?
The molecular weight of F0580-0880 is 464.07 g/mol.
Where can I buy F0580-0880?
You can request a quote for F0580-0880 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0880?
Yes, KEHONG BIO provides custom synthesis services for F0580-0880 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.