2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-
TL;DR: 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- (CAS 96813-50-2) is a chemical compound with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzothiazol-2-ylsulfanyl)-3-phenoxypropan-2-ol
Also Known As: 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-, 1-(1,3-benzothiazol-2-ylsulfanyl)-3-phenoxypropan-2-ol, BIM-0019064.P001, 1-[(1,3-Benzothiazol-2-yl)sulfanyl]-3-phenoxypropan-2-ol
| Molecular Formula | C16H15NO2S2 |
|---|---|
| Molecular Weight | 317.05 g/mol |
| LogP | 3.8283 |
| Topological Polar Surface Area | 42.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.0544 |
| Heavy Atoms | 21 |
| Complexity | 666.5782 |
Chemical Identifiers
| CAS Number | 96813-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(CSC2=NC3=CC=CC=C3S2)O |
Product Overview
2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- (CAS 96813-50-2), with molecular formula C16H15NO2S2 and molecular weight 317.05 g/mol. IUPAC: 1-(1,3-benzothiazol-2-ylsulfanyl)-3-phenoxypropan-2-ol.
Chemical Property Profile of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-
Property Insights of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-
The XLogP value of 3.8283 indicates that 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.35 Ų, 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- has 1 hydrogen bond donor(s) and 5 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-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-?
The CAS number of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- is 96813-50-2.
What is the molecular formula of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-?
The molecular formula of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- is C16H15NO2S2.
What is the molecular weight of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-?
The molecular weight of 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- is 317.05 g/mol.
Where can I buy 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-?
You can request a quote for 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol, 1-(2-benzothiazolylthio)-3-phenoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.