C18H14ClN3O5S
TL;DR: C18H14ClN3O5S (CAS 609790-77-4) is a chemical compound with molecular formula C18H14ClN3O5S and molecular weight 419.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[4-chloro-5-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate
Also Known As: (E)-methyl 3-((4-chloro-5-((2-(furan-2-carbonyl)hydrazono)methyl)-2-oxothiazol-3(2H)-yl)methyl)benzoate, methyl 3-{[4-chloro-5-{(E)-[2-(furan-2-ylcarbonyl)hydrazinylidene]methyl}-2-oxo-1,3-thiazol-3(2H)-yl]methyl}benzoate
| Molecular Formula | C18H14ClN3O5S |
|---|---|
| Molecular Weight | 419.03 g/mol |
| LogP | 2.755 |
| Topological Polar Surface Area | 102.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.03427 |
| Heavy Atoms | 28 |
| Complexity | 1085.0887 |
Chemical Identifiers
| CAS Number | 609790-77-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C(=C(SC2=O)/C=N/NC(=O)C3=CC=CO3)Cl |
Product Overview
C18H14ClN3O5S (CAS 609790-77-4), with molecular formula C18H14ClN3O5S and molecular weight 419.03 g/mol. IUPAC: methyl 3-[[4-chloro-5-[(E)-(furan-2-carbonylhydrazinylidene)methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate.
Chemical Property Profile of C18H14ClN3O5S
Property Insights of C18H14ClN3O5S
The XLogP value of 2.755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H14ClN3O5S. The TPSA of 102.9 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H14ClN3O5S. Following Lipinski's Rule of Five, C18H14ClN3O5S has 1 hydrogen bond donor(s) and 7 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 C18H14ClN3O5S?
The CAS number of C18H14ClN3O5S is 609790-77-4.
What is the molecular formula of C18H14ClN3O5S?
The molecular formula of C18H14ClN3O5S is C18H14ClN3O5S.
What is the molecular weight of C18H14ClN3O5S?
The molecular weight of C18H14ClN3O5S is 419.03 g/mol.
Where can I buy C18H14ClN3O5S?
You can request a quote for C18H14ClN3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H14ClN3O5S?
Yes, KEHONG BIO provides custom synthesis services for C18H14ClN3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.