2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole
TL;DR: 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole (CAS 18221-30-2) is a chemical compound with molecular formula C10H4F5NS and molecular weight 265.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,3-benzothiazole
Also Known As: AF-399/32356003, 2-(1,2,3,3,3-pentafluoro-1-propenyl)-1,3-benzothiazole, 2-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,3-benzothiazole
| Molecular Formula | C10H4F5NS |
|---|---|
| Molecular Weight | 265.00 g/mol |
| LogP | 4.4662 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 264.99847 |
| Heavy Atoms | 17 |
| Complexity | 550.6389 |
Chemical Identifiers
| CAS Number | 18221-30-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)/C(=C(/C(F)(F)F)\F)/F |
Product Overview
2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole (CAS 18221-30-2), with molecular formula C10H4F5NS and molecular weight 265.00 g/mol. IUPAC: 2-[(E)-1,2,3,3,3-pentafluoroprop-1-enyl]-1,3-benzothiazole.
Chemical Property Profile of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole
Property Insights of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole
The XLogP value of 4.4662 indicates that 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole has 0 hydrogen bond donor(s) and 2 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 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole?
The CAS number of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole is 18221-30-2.
What is the molecular formula of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole?
The molecular formula of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole is C10H4F5NS.
What is the molecular weight of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole?
The molecular weight of 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole is 265.00 g/mol.
Where can I buy 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole?
You can request a quote for 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,2,3,3,3-Pentafluoro-1-propenyl)-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.