![2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid structure](/static/products/872/872319-77-2.png)
2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid
TL;DR: 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid (CAS 872319-77-2) is a chemical compound with molecular formula C10H8F2N2O2S and molecular weight 258.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetic acid
Also Known As: {2-[(difluoromethyl)thio]-1H-benzimidazol-1-yl}acetic acid, (2-[(Difluoromethyl)thio]-1H-benzimidazol-1-yl)acetic acid, 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid, 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetic acid, 2-(2-((Difluoromethyl)thio)-1H-benzo[d]imidazol-1-yl)acetic acid
| Molecular Formula | C10H8F2N2O2S |
|---|---|
| Molecular Weight | 258.03 g/mol |
| LogP | 2.4356 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.02747 |
| Heavy Atoms | 17 |
| Complexity | 556.2295 |
Chemical Identifiers
| CAS Number | 872319-77-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CC(=O)O)SC(F)F |
Product Overview
2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid (CAS 872319-77-2), with molecular formula C10H8F2N2O2S and molecular weight 258.03 g/mol. IUPAC: 2-[2-(difluoromethylsulfanyl)benzimidazol-1-yl]acetic acid.
Chemical Property Profile of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid
Property Insights of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid
The XLogP value of 2.4356 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid has 1 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 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid?
The CAS number of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid is 872319-77-2.
What is the molecular formula of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid?
The molecular formula of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid is C10H8F2N2O2S.
What is the molecular weight of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid?
The molecular weight of 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid is 258.03 g/mol.
Where can I buy 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid?
You can request a quote for 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{2-[(difluoromethyl)sulfanyl]-1H-1,3-benzodiazol-1-yl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.