F0580-0321
TL;DR: F0580-0321 (CAS 536705-68-7) is a chemical compound with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
Also Known As: F0580-0321, 2-{[3-(3,5-dimethylphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide, 2-((3-(3,5-dimethylphenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide, 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
| Molecular Formula | C24H21N5O3S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 4.51106 |
| Topological Polar Surface Area | 105.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.1365 |
| Heavy Atoms | 33 |
| Complexity | 1560.378 |
Chemical Identifiers
| CAS Number | 536705-68-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=O)C3=C(C4=CC=CC=C4N3)N=C2SCC(=O)NC5=NOC(=C5)C)C |
Product Overview
F0580-0321 (CAS 536705-68-7), with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol. IUPAC: 2-[[3-(3,5-dimethylphenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
Chemical Property Profile of F0580-0321
Property Insights of F0580-0321
The XLogP value of 4.51106 indicates that F0580-0321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0580-0321. Following Lipinski's Rule of Five, F0580-0321 has 2 hydrogen bond donor(s) and 6 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 F0580-0321?
The CAS number of F0580-0321 is 536705-68-7.
What is the molecular formula of F0580-0321?
The molecular formula of F0580-0321 is C24H21N5O3S.
What is the molecular weight of F0580-0321?
The molecular weight of F0580-0321 is 459.14 g/mol.
Where can I buy F0580-0321?
You can request a quote for F0580-0321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0580-0321?
Yes, KEHONG BIO provides custom synthesis services for F0580-0321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.