2-Thienylmethyl benzoate
TL;DR: 2-Thienylmethyl benzoate (CAS 85455-66-9) is a chemical compound with molecular formula C12H10O2S and molecular weight 218.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiophen-2-ylmethyl benzoate
Also Known As: 2-Thienylmethyl benzoate, 2-thenyl benzoate, thiophen-2-ylmethyl benzoate, 2-Thiophenemethanol benzoate, EINECS 287-300-7
| Molecular Formula | C12H10O2S |
|---|---|
| Molecular Weight | 218.04 g/mol |
| LogP | 3.1051 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.04015 |
| Heavy Atoms | 15 |
| Complexity | 420.14746 |
Chemical Identifiers
| CAS Number | 85455-66-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CC=CS2 |
Product Overview
2-Thienylmethyl benzoate (CAS 85455-66-9), with molecular formula C12H10O2S and molecular weight 218.04 g/mol. IUPAC: thiophen-2-ylmethyl benzoate.
Chemical Property Profile of 2-Thienylmethyl benzoate
Property Insights of 2-Thienylmethyl benzoate
The XLogP value of 3.1051 indicates that 2-Thienylmethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Thienylmethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thienylmethyl benzoate has 0 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-Thienylmethyl benzoate?
The CAS number of 2-Thienylmethyl benzoate is 85455-66-9.
What is the molecular formula of 2-Thienylmethyl benzoate?
The molecular formula of 2-Thienylmethyl benzoate is C12H10O2S.
What is the molecular weight of 2-Thienylmethyl benzoate?
The molecular weight of 2-Thienylmethyl benzoate is 218.04 g/mol.
Where can I buy 2-Thienylmethyl benzoate?
You can request a quote for 2-Thienylmethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thienylmethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Thienylmethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.