C19H13ClFN3OS
TL;DR: C19H13ClFN3OS (CAS 879477-21-1) is a chemical compound with molecular formula C19H13ClFN3OS and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(4-chlorophenyl)methyl]-4-fluoro-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-10-one
Also Known As: 6-(4-chlorobenzyl)-9-fluoro-2,3-dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one, 6-(4-chlorobenzyl)-9-fluoro-2,3-dihydro[1,3]thiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one
| Molecular Formula | C19H13ClFN3OS |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 4.2977 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.0452 |
| Heavy Atoms | 26 |
| Complexity | 1229.9695 |
Chemical Identifiers
| CAS Number | 879477-21-1 |
|---|---|
| SMILES | C1CSC2=NC3=C(C(=O)N21)N(C4=C3C=C(C=C4)F)CC5=CC=C(C=C5)Cl |
Product Overview
C19H13ClFN3OS (CAS 879477-21-1), with molecular formula C19H13ClFN3OS and molecular weight 385.05 g/mol. IUPAC: 8-[(4-chlorophenyl)methyl]-4-fluoro-14-thia-8,11,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,15-pentaen-10-one.
Chemical Property Profile of C19H13ClFN3OS
Property Insights of C19H13ClFN3OS
The XLogP value of 4.2977 indicates that C19H13ClFN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, C19H13ClFN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C19H13ClFN3OS has 0 hydrogen bond donor(s) and 3 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 C19H13ClFN3OS?
The CAS number of C19H13ClFN3OS is 879477-21-1.
What is the molecular formula of C19H13ClFN3OS?
The molecular formula of C19H13ClFN3OS is C19H13ClFN3OS.
What is the molecular weight of C19H13ClFN3OS?
The molecular weight of C19H13ClFN3OS is 385.05 g/mol.
Where can I buy C19H13ClFN3OS?
You can request a quote for C19H13ClFN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H13ClFN3OS?
Yes, KEHONG BIO provides custom synthesis services for C19H13ClFN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.