Thietan-3-yl 3-aminobenzoate
TL;DR: Thietan-3-yl 3-aminobenzoate (CAS 167167-79-5) is a chemical compound with molecular formula C10H11NO2S and molecular weight 209.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thietan-3-yl 3-aminobenzoate
Also Known As: thietan-3-yl 3-aminobenzoate, TimTec1_002803, 3-Thietanol,3-aminobenzoate(9CI), 3-Thietanol, 3-aminobenzoate (9CI)
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 77.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 167167-79-5 |
|---|---|
| SMILES | C1C(CS1)OC(=O)C2=CC(=CC=C2)N |
| InChIKey | QRODHUNMWQDESK-UHFFFAOYSA-N |
Product Overview
Thietan-3-yl 3-aminobenzoate (CAS 167167-79-5), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: thietan-3-yl 3-aminobenzoate.
Chemical Property Profile of Thietan-3-yl 3-aminobenzoate
Property Insights of Thietan-3-yl 3-aminobenzoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thietan-3-yl 3-aminobenzoate. The TPSA of 77.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Thietan-3-yl 3-aminobenzoate. Following Lipinski's Rule of Five, Thietan-3-yl 3-aminobenzoate 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 Thietan-3-yl 3-aminobenzoate?
The CAS number of Thietan-3-yl 3-aminobenzoate is 167167-79-5.
What is the molecular formula of Thietan-3-yl 3-aminobenzoate?
The molecular formula of Thietan-3-yl 3-aminobenzoate is C10H11NO2S.
What is the molecular weight of Thietan-3-yl 3-aminobenzoate?
The molecular weight of Thietan-3-yl 3-aminobenzoate is 209.05 g/mol.
Where can I buy Thietan-3-yl 3-aminobenzoate?
You can request a quote for Thietan-3-yl 3-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thietan-3-yl 3-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Thietan-3-yl 3-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.