propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
TL;DR: propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate (CAS 333775-78-3) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
Also Known As: ChemDiv3_002201, BAS 01025586, methylethyl 2-benzimidazol-2-ylthioacetate, BB 0219686, propan-2-yl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 333775-78-3 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NC2=CC=CC=C2N1 |
| InChIKey | HIFJWDBUUBMUAV-UHFFFAOYSA-N |
Product Overview
propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate (CAS 333775-78-3), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: propan-2-yl 2-(1H-benzimidazol-2-ylsulfanyl)acetate.
Chemical Property Profile of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
Property Insights of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate. Following Lipinski's Rule of Five, propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate 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 propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate?
The CAS number of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate is 333775-78-3.
What is the molecular formula of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate?
The molecular formula of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate is C12H14N2O2S.
What is the molecular weight of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate?
The molecular weight of propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate is 250.08 g/mol.
Where can I buy propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate?
You can request a quote for propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 2-(1H-1,3-benzodiazol-2-ylsulfanyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.