C20H13FN4OS
TL;DR: C20H13FN4OS (CAS 879576-36-0) is a chemical compound with molecular formula C20H13FN4OS and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluoro-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)methyl]benzonitrile
Also Known As: 3-((9-fluoro-5-oxo-2,3-dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)methyl)benzonitrile, 3-[(9-fluoro-5-oxo-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-6(5H)-yl)methyl]benzonitrile
| Molecular Formula | C20H13FN4OS |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.51598 |
| Topological Polar Surface Area | 63.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.0794 |
| Heavy Atoms | 27 |
| Complexity | 1332.051 |
Chemical Identifiers
| CAS Number | 879576-36-0 |
|---|---|
| SMILES | C1CSC2=NC3=C(C(=O)N21)N(C4=C3C=C(C=C4)F)CC5=CC(=CC=C5)C#N |
Product Overview
C20H13FN4OS (CAS 879576-36-0), with molecular formula C20H13FN4OS and molecular weight 376.08 g/mol. IUPAC: 3-[(4-fluoro-10-oxo-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-8-yl)methyl]benzonitrile.
Chemical Property Profile of C20H13FN4OS
Property Insights of C20H13FN4OS
The XLogP value of 3.51598 indicates that C20H13FN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.61 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H13FN4OS. Following Lipinski's Rule of Five, C20H13FN4OS has 0 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 C20H13FN4OS?
The CAS number of C20H13FN4OS is 879576-36-0.
What is the molecular formula of C20H13FN4OS?
The molecular formula of C20H13FN4OS is C20H13FN4OS.
What is the molecular weight of C20H13FN4OS?
The molecular weight of C20H13FN4OS is 376.08 g/mol.
Where can I buy C20H13FN4OS?
You can request a quote for C20H13FN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H13FN4OS?
Yes, KEHONG BIO provides custom synthesis services for C20H13FN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.