RefChem:1062751
TL;DR: RefChem:1062751 (CAS 39775-27-4) is a chemical compound with molecular formula C12H14Cl2N2O2S and molecular weight 320.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride
Also Known As: 2-Chloro-3-(1-piperazinyl)benzo(b)thiophene 1,1-dioxide hydrochloride, 2-chloro-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride, BENZO(b)THIOPHENE, 2-CHLORO-3-(1-PIPERAZINYL)-, 1,1-DIOXIDE, HYDROCHLORIDE, 2-Chloro-3-(piperazin-1-yl)-1H-1-benzothiophene-1,1-dione--hydrogen chloride (1/1), RefChem:1062751
| Molecular Formula | C12H14Cl2N2O2S |
|---|---|
| Molecular Weight | 320.02 g/mol |
| LogP | -2.78 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.0153 |
| Heavy Atoms | 19 |
| Complexity | 463.0 |
Chemical Identifiers
| CAS Number | 39775-27-4 |
|---|---|
| SMILES | C1CN(CC[NH2+]1)C2=C(S(=O)(=O)C3=CC=CC=C32)Cl.[Cl-] |
| InChIKey | GZSKDYKDCKRGKW-UHFFFAOYSA-N |
Product Overview
RefChem:1062751 (CAS 39775-27-4), with molecular formula C12H14Cl2N2O2S and molecular weight 320.02 g/mol. IUPAC: 2-chloro-3-piperazin-4-ium-1-yl-1-benzothiophene 1,1-dioxide chloride.
Chemical Property Profile of RefChem:1062751
Property Insights of RefChem:1062751
The XLogP value of -2.78 indicates that RefChem:1062751 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1062751. Following Lipinski's Rule of Five, RefChem:1062751 has 1 hydrogen bond donor(s) and 4 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 RefChem:1062751?
The CAS number of RefChem:1062751 is 39775-27-4.
What is the molecular formula of RefChem:1062751?
The molecular formula of RefChem:1062751 is C12H14Cl2N2O2S.
What is the molecular weight of RefChem:1062751?
The molecular weight of RefChem:1062751 is 320.02 g/mol.
Where can I buy RefChem:1062751?
You can request a quote for RefChem:1062751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1062751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1062751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.