![methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate structure](/static/products/4007/400736-31-4.webp)
methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate
TL;DR: methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate (CAS 400736-31-4) is a chemical compound with molecular formula C13H13F3N2O2S and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate
Also Known As: 9L-922, methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate, methyl 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate, methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]butanoate, methyl4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]butanoate
| Molecular Formula | C13H13F3N2O2S |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 3.67089 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.06497 |
| Heavy Atoms | 21 |
| Complexity | 718.2552 |
Chemical Identifiers
| CAS Number | 400736-31-4 |
|---|---|
| SMILES | COC(=O)CCCN1C2=C(C=C(C=C2)C(F)(F)F)NC1=S |
Product Overview
methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate (CAS 400736-31-4), with molecular formula C13H13F3N2O2S and molecular weight 318.06 g/mol. IUPAC: methyl 4-[2-sulfanylidene-5-(trifluoromethyl)-3H-benzimidazol-1-yl]butanoate.
Chemical Property Profile of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate
Property Insights of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate
The XLogP value of 3.67089 indicates that methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate 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 methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate?
The CAS number of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate is 400736-31-4.
What is the molecular formula of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate?
The molecular formula of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate is C13H13F3N2O2S.
What is the molecular weight of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate?
The molecular weight of methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate is 318.06 g/mol.
Where can I buy methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate?
You can request a quote for methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[2-sulfanyl-5-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.