C17H14N4OS
TL;DR: C17H14N4OS (CAS 896835-95-3) is a chemical compound with molecular formula C17H14N4OS and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7,8-dimethyl-3-[(E)-pyrrol-2-ylidenemethyl]pyrimido[2,1-b][1,3]benzothiazol-2-one
| Molecular Formula | C17H14N4OS |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | 3.08974 |
| Topological Polar Surface Area | 72.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.08884 |
| Heavy Atoms | 23 |
| Complexity | 1101.2566 |
Chemical Identifiers
| CAS Number | 896835-95-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)SC3=NC(=O)C(=C(N23)N)/C=C/4\C=CC=N4 |
Product Overview
C17H14N4OS (CAS 896835-95-3), with molecular formula C17H14N4OS and molecular weight 322.09 g/mol. IUPAC: 4-amino-7,8-dimethyl-3-[(E)-pyrrol-2-ylidenemethyl]pyrimido[2,1-b][1,3]benzothiazol-2-one.
Chemical Property Profile of C17H14N4OS
Property Insights of C17H14N4OS
The XLogP value of 3.08974 indicates that C17H14N4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.75 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H14N4OS. Following Lipinski's Rule of Five, C17H14N4OS has 1 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 C17H14N4OS?
The CAS number of C17H14N4OS is 896835-95-3.
What is the molecular formula of C17H14N4OS?
The molecular formula of C17H14N4OS is C17H14N4OS.
What is the molecular weight of C17H14N4OS?
The molecular weight of C17H14N4OS is 322.09 g/mol.
Where can I buy C17H14N4OS?
You can request a quote for C17H14N4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H14N4OS?
Yes, KEHONG BIO provides custom synthesis services for C17H14N4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.