Furancarbothioanilide deriv.
TL;DR: Furancarbothioanilide deriv. (CAS 178870-53-6) is a chemical compound with molecular formula C18H20ClNO3S2 and molecular weight 397.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetate
Also Known As: Furancarbothioanilide deriv., Acetic acid, ((2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)phenyl)thio)-, 1,1-dimethylethyl ester, (2-Chloro-5-((1-(2-methyl-furan-3-yl)-methanethioyl)-amino)-phenylsulfanyl)-acetic acid, tert-butyl ester, tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetate, tert-Butyl ({2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl}sulfanyl)acetate
| Molecular Formula | C18H20ClNO3S2 |
|---|---|
| Molecular Weight | 397.06 g/mol |
| LogP | 5.46282 |
| Topological Polar Surface Area | 51.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.0573 |
| Heavy Atoms | 25 |
| Complexity | 780.86865 |
Chemical Identifiers
| CAS Number | 178870-53-6 |
|---|---|
| SMILES | CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)SCC(=O)OC(C)(C)C |
Product Overview
Furancarbothioanilide deriv. (CAS 178870-53-6), with molecular formula C18H20ClNO3S2 and molecular weight 397.06 g/mol. IUPAC: tert-butyl 2-[2-chloro-5-[(2-methylfuran-3-carbothioyl)amino]phenyl]sulfanylacetate.
Chemical Property Profile of Furancarbothioanilide deriv.
Property Insights of Furancarbothioanilide deriv.
The XLogP value of 5.46282 indicates that Furancarbothioanilide deriv. is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.47 Ų, Furancarbothioanilide deriv. exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Furancarbothioanilide deriv. has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Furancarbothioanilide deriv.?
The CAS number of Furancarbothioanilide deriv. is 178870-53-6.
What is the molecular formula of Furancarbothioanilide deriv.?
The molecular formula of Furancarbothioanilide deriv. is C18H20ClNO3S2.
What is the molecular weight of Furancarbothioanilide deriv.?
The molecular weight of Furancarbothioanilide deriv. is 397.06 g/mol.
Where can I buy Furancarbothioanilide deriv.?
You can request a quote for Furancarbothioanilide deriv. directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furancarbothioanilide deriv.?
Yes, KEHONG BIO provides custom synthesis services for Furancarbothioanilide deriv. and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.