1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde
TL;DR: 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde (CAS 33795-85-6) is a chemical compound with molecular formula C12H8N2OS and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde
Also Known As: 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde, N-Methyl tetrafluorophthalimide, 1-(1,3-benzothiazol-2-yl)-1H-pyrrole-2-carbaldehyde, 1-(1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde, 1-(Benzo[d]thiazol-2-yl)-1H-pyrrole-2-carbaldehyde
| Molecular Formula | C12H8N2OS |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.8995 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.03574 |
| Heavy Atoms | 16 |
| Complexity | 620.6448 |
Chemical Identifiers
| CAS Number | 33795-85-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C=CC=C3C=O |
Product Overview
1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde (CAS 33795-85-6), with molecular formula C12H8N2OS and molecular weight 228.04 g/mol. IUPAC: 1-(1,3-benzothiazol-2-yl)pyrrole-2-carbaldehyde.
Chemical Property Profile of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde
Property Insights of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde
The XLogP value of 2.8995 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzothiazol-2-yl-1H-pyrrole-2-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-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde?
The CAS number of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde is 33795-85-6.
What is the molecular formula of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde?
The molecular formula of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde is C12H8N2OS.
What is the molecular weight of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde?
The molecular weight of 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde is 228.04 g/mol.
Where can I buy 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde?
You can request a quote for 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzothiazol-2-yl-1H-pyrrole-2-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.