三氟甲基亚磺酸钠
TL;DR: 三氟甲基亚磺酸钠 (CAS 2926-29-6) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
三氟甲基亚磺酸钠
3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid
Also Known As: 3-(2-Methyl-1H-benzoimidazol-5-yl)-propionic acid, Sodium Trifluoromethanesulfinate, 3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid, BAS 10157067, 3-(2-methyl-1H-benzimidazol-5-yl)propanoic acid
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.88852 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 502.25726 |
Chemical Identifiers
| CAS Number | 2926-29-6 |
|---|---|
| SMILES | CC1=NC2=C(N1)C=C(C=C2)CCC(=O)O |
Product Overview
三氟甲基亚磺酸钠 (CAS 2926-29-6), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: 3-(2-methyl-3H-benzimidazol-5-yl)propanoic acid.
Chemical Property Profile of 三氟甲基亚磺酸钠
Property Insights of 三氟甲基亚磺酸钠
The XLogP value of 1.88852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 三氟甲基亚磺酸钠. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 三氟甲基亚磺酸钠. Following Lipinski's Rule of Five, 三氟甲基亚磺酸钠 has 2 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 三氟甲基亚磺酸钠?
The CAS number of 三氟甲基亚磺酸钠 is 2926-29-6.
What is the molecular formula of 三氟甲基亚磺酸钠?
The molecular formula of 三氟甲基亚磺酸钠 is C11H12N2O2.
What is the molecular weight of 三氟甲基亚磺酸钠?
The molecular weight of 三氟甲基亚磺酸钠 is 204.09 g/mol.
Where can I buy 三氟甲基亚磺酸钠?
You can request a quote for 三氟甲基亚磺酸钠 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 三氟甲基亚磺酸钠?
Yes, KEHONG BIO provides custom synthesis services for 三氟甲基亚磺酸钠 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.