5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole
TL;DR: 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole (CAS 866156-73-2) is a chemical compound with molecular formula C12H11N3S and molecular weight 229.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole
Also Known As: 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole, 5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole, 1,2,3-Benzothiadiazole, 5-(2,5-dimethyl-1H-pyrrol-1-yl), 1,2,3-Benzothiadiazole, 5-(2,5-dimethyl-1H-pyrrol-1-yl)-, 3-(2,5-dimethylpyrrol-1-yl)-7-thia-8,9-diazabicyclo[4.3.0]nona-2,4,8,10-tetraene
| Molecular Formula | C12H11N3S |
|---|---|
| Molecular Weight | 229.07 g/mol |
| LogP | 3.09884 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.06737 |
| Heavy Atoms | 16 |
| Complexity | 631.635 |
Chemical Identifiers
| CAS Number | 866156-73-2 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC3=C(C=C2)SN=N3)C |
Product Overview
5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole (CAS 866156-73-2), with molecular formula C12H11N3S and molecular weight 229.07 g/mol. IUPAC: 5-(2,5-dimethylpyrrol-1-yl)-1,2,3-benzothiadiazole.
Chemical Property Profile of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole
Property Insights of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole
The XLogP value of 3.09884 indicates that 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole 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 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole?
The CAS number of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole is 866156-73-2.
What is the molecular formula of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole?
The molecular formula of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole is C12H11N3S.
What is the molecular weight of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole?
The molecular weight of 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole is 229.07 g/mol.
Where can I buy 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole?
You can request a quote for 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,2,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.