3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone
TL;DR: 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone (CAS 41131-07-1) is a chemical compound with molecular formula C13H8F7NOS and molecular weight 359.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2-ylidene)pentan-2-one
Also Known As: 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone, (1E)-3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2-ylidene)pentan-2-one, (1E)-3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)pentan-2-one, (E)-3,3,4,4,5,5,5-heptafluoro-1-(3-methylbenzo[d]thiazol-2(3H)-ylidene)pentan-2-one
| Molecular Formula | C13H8F7NOS |
|---|---|
| Molecular Weight | 359.02 g/mol |
| LogP | 4.4719 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 359.02148 |
| Heavy Atoms | 23 |
| Complexity | 668.53204 |
Chemical Identifiers
| CAS Number | 41131-07-1 |
|---|---|
| SMILES | CN\1C2=CC=CC=C2S/C1=C/C(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone (CAS 41131-07-1), with molecular formula C13H8F7NOS and molecular weight 359.02 g/mol. IUPAC: (1E)-3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2-ylidene)pentan-2-one.
Chemical Property Profile of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone
Property Insights of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone
The XLogP value of 4.4719 indicates that 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone 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 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone?
The CAS number of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone is 41131-07-1.
What is the molecular formula of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone?
The molecular formula of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone is C13H8F7NOS.
What is the molecular weight of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone?
The molecular weight of 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone is 359.02 g/mol.
Where can I buy 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone?
You can request a quote for 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 3,3,4,4,5,5,5-heptafluoro-1-(3-methyl-1,3-benzothiazol-2(3H)-ylidene)-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.