![1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde structure](/static/products/6966/696649-69-1.webp)
1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde
TL;DR: 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde (CAS 696649-69-1) is a chemical compound with molecular formula C18H10FNO2S and molecular weight 323.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde
Also Known As: ZERO/005124, 1-(4-fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde, 1-(4-Fluorobenzoyl)benzo[d]pyrrolo[2,1-b]thiazole-3-carbaldehyde, 1-(4-fluorobenzoyl)pyrrolo[2,1-{b}][1,3]benzothiazole-3-carbaldehyde, 1-(4-Fluoro-benzoyl)-benzo[d]pyrrolo[2,1-b]thiazole-3-carbaldehyde
| Molecular Formula | C18H10FNO2S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 4.3366 |
| Topological Polar Surface Area | 38.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.04163 |
| Heavy Atoms | 23 |
| Complexity | 1059.958 |
Chemical Identifiers
| CAS Number | 696649-69-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N3C(=CC(=C3S2)C=O)C(=O)C4=CC=C(C=C4)F |
Product Overview
1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde (CAS 696649-69-1), with molecular formula C18H10FNO2S and molecular weight 323.04 g/mol. IUPAC: 1-(4-fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde.
Chemical Property Profile of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde
Property Insights of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde
The XLogP value of 4.3366 indicates that 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.55 Ų, 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde 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 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde?
The CAS number of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde is 696649-69-1.
What is the molecular formula of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde?
The molecular formula of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde is C18H10FNO2S.
What is the molecular weight of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde?
The molecular weight of 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde is 323.04 g/mol.
Where can I buy 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde?
You can request a quote for 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorobenzoyl)pyrrolo[2,1-b][1,3]benzothiazole-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.