5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole
TL;DR: 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole (CAS 100480-17-9) is a chemical compound with molecular formula C13H18O2S and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trimethyl-2-propyl-1,3-benzoxathiol-5-ol
Also Known As: 5-Htobt, 4,6,7-trimethyl-2-propyl-1,3-benzoxathiol-5-ol, 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole, 2-Propyl-4,6,7-trimethyl-1,3-benzoxathiol-5-ol, 5-hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiole
| Molecular Formula | C13H18O2S |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.10275 |
| Heavy Atoms | 16 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 100480-17-9 |
|---|---|
| SMILES | CCCC1OC2=C(S1)C(=C(C(=C2C)C)O)C |
| InChIKey | IGGIBRSAGVJGQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole (CAS 100480-17-9), with molecular formula C13H18O2S and molecular weight 238.10 g/mol. IUPAC: 4,6,7-trimethyl-2-propyl-1,3-benzoxathiol-5-ol.
Chemical Property Profile of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole
Property Insights of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole
The XLogP value of 4.3 indicates that 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.8 Ų, 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole 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 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole?
The CAS number of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole is 100480-17-9.
What is the molecular formula of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole?
The molecular formula of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole is C13H18O2S.
What is the molecular weight of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole?
The molecular weight of 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole is 238.10 g/mol.
Where can I buy 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole?
You can request a quote for 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-4,6,7-trimethyl-2-propyl-1,3-benzoxathiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.