C20H15ClFN3OS
TL;DR: C20H15ClFN3OS (CAS 898914-08-4) is a chemical compound with molecular formula C20H15ClFN3OS and molecular weight 399.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[(2-chloro-6-fluorophenyl)methyl]-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11,13,15-pentaen-2-one
Also Known As: 7-(2-chloro-6-fluorobenzyl)-3,4-dihydro-2H-[1,3]thiazino[3',2':1,2]pyrimido[5,4-b]indol-6(7H)-one
| Molecular Formula | C20H15ClFN3OS |
|---|---|
| Molecular Weight | 399.06 g/mol |
| LogP | 4.6878 |
| Topological Polar Surface Area | 39.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 399.06085 |
| Heavy Atoms | 27 |
| Complexity | 1243.5305 |
Chemical Identifiers
| CAS Number | 898914-08-4 |
|---|---|
| SMILES | C1CN2C(=O)C3=C(C4=CC=CC=C4N3CC5=C(C=CC=C5Cl)F)N=C2SC1 |
Product Overview
C20H15ClFN3OS (CAS 898914-08-4), with molecular formula C20H15ClFN3OS and molecular weight 399.06 g/mol. IUPAC: 17-[(2-chloro-6-fluorophenyl)methyl]-7-thia-3,9,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),8,11,13,15-pentaen-2-one.
Chemical Property Profile of C20H15ClFN3OS
Property Insights of C20H15ClFN3OS
The XLogP value of 4.6878 indicates that C20H15ClFN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.82 Ų, C20H15ClFN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C20H15ClFN3OS 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 C20H15ClFN3OS?
The CAS number of C20H15ClFN3OS is 898914-08-4.
What is the molecular formula of C20H15ClFN3OS?
The molecular formula of C20H15ClFN3OS is C20H15ClFN3OS.
What is the molecular weight of C20H15ClFN3OS?
The molecular weight of C20H15ClFN3OS is 399.06 g/mol.
Where can I buy C20H15ClFN3OS?
You can request a quote for C20H15ClFN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H15ClFN3OS?
Yes, KEHONG BIO provides custom synthesis services for C20H15ClFN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.