C18H13FN4OS
TL;DR: C18H13FN4OS (CAS 477192-89-5) is a chemical compound with molecular formula C18H13FN4OS and molecular weight 352.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-N-(4-fluoroanilino)-4-(3-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide
Also Known As: (Z)-N'-(4-fluorophenyl)-4-(3-methoxyphenyl)thiazole-2-carbohydrazonoyl cyanide, (2Z)-[2-(4-fluorophenyl)hydrazinylidene][4-(3-methoxyphenyl)-1,3-thiazol-2-yl]ethanenitrile
| Molecular Formula | C18H13FN4OS |
|---|---|
| Molecular Weight | 352.08 g/mol |
| LogP | 4.29758 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.0794 |
| Heavy Atoms | 25 |
| Complexity | 944.20996 |
Chemical Identifiers
| CAS Number | 477192-89-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=CSC(=N2)/C(=N\NC3=CC=C(C=C3)F)/C#N |
Product Overview
C18H13FN4OS (CAS 477192-89-5), with molecular formula C18H13FN4OS and molecular weight 352.08 g/mol. IUPAC: (2Z)-N-(4-fluoroanilino)-4-(3-methoxyphenyl)-1,3-thiazole-2-carboximidoyl cyanide.
Chemical Property Profile of C18H13FN4OS
Property Insights of C18H13FN4OS
The XLogP value of 4.29758 indicates that C18H13FN4OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H13FN4OS. Following Lipinski's Rule of Five, C18H13FN4OS has 1 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 C18H13FN4OS?
The CAS number of C18H13FN4OS is 477192-89-5.
What is the molecular formula of C18H13FN4OS?
The molecular formula of C18H13FN4OS is C18H13FN4OS.
What is the molecular weight of C18H13FN4OS?
The molecular weight of C18H13FN4OS is 352.08 g/mol.
Where can I buy C18H13FN4OS?
You can request a quote for C18H13FN4OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H13FN4OS?
Yes, KEHONG BIO provides custom synthesis services for C18H13FN4OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.