3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol
TL;DR: 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol (CAS 100482-08-4) is a chemical compound with molecular formula C13H18O3S and molecular weight 254.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-hydroxypropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-ol
Also Known As: 3-Htbp, Mn(, A-picoline)Cl2, 2-(3-hydroxypropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-ol, 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol
| Molecular Formula | C13H18O3S |
|---|---|
| Molecular Weight | 254.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.09767 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 100482-08-4 |
|---|---|
| SMILES | CC1=C(C2=C(C(=C1O)C)SC(O2)CCCO)C |
| InChIKey | NFFALUZFTIOAOV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol (CAS 100482-08-4), with molecular formula C13H18O3S and molecular weight 254.10 g/mol. IUPAC: 2-(3-hydroxypropyl)-4,6,7-trimethyl-1,3-benzoxathiol-5-ol.
Chemical Property Profile of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol
Property Insights of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol
The XLogP value of 3.1 indicates that 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol. Following Lipinski's Rule of Five, 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol has 2 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 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol?
The CAS number of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol is 100482-08-4.
What is the molecular formula of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol?
The molecular formula of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol is C13H18O3S.
What is the molecular weight of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol?
The molecular weight of 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol is 254.10 g/mol.
Where can I buy 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol?
You can request a quote for 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Hydroxy-4,6,7-trimethyl-1,3-benzoxathiazol-2-yl)propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.