2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one
TL;DR: 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one (CAS 4418-00-2) 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.
2-(3-hydroxypropyl)-1,2-benzothiazol-3-one
Also Known As: 2-(3-hydroxypropyl)-1,2-benzothiazol-3-one, 2-(3-hydroxypropyl)benzo[d]isothiazol-3(2H)-one, 2-(3-Hydroxypropyl)-1,2-benzisothiazol-3(2H)-one, 1,2-Benzisothiazol-3(2H)-one, 2-(3-hydroxypropyl)-, 2-(3-hydroxypropyl)-2,3-dihydro-1,2-benzothiazol-3-one
| Molecular Formula | C10H11NO2S |
|---|---|
| Molecular Weight | 209.05 g/mol |
| LogP | 1.4454 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.05106 |
| Heavy Atoms | 14 |
| Complexity | 486.0728 |
Chemical Identifiers
| CAS Number | 4418-00-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(S2)CCCO |
Product Overview
2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one (CAS 4418-00-2), with molecular formula C10H11NO2S and molecular weight 209.05 g/mol. IUPAC: 2-(3-hydroxypropyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one
Property Insights of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one
The XLogP value of 1.4454 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one. With a topological polar surface area (TPSA) of 42.23 Ų, 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one 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 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one?
The CAS number of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one is 4418-00-2.
What is the molecular formula of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one?
The molecular formula of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one is C10H11NO2S.
What is the molecular weight of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one?
The molecular weight of 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one is 209.05 g/mol.
Where can I buy 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one?
You can request a quote for 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Hydroxypropyl)-1,2-benzothiazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.