2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)
TL;DR: 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) (CAS 68480-30-8) is a chemical compound with molecular formula C11H20ClNOS and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)
2-octyl-1,2-thiazol-3-one;hydrochloride
Also Known As: Octhilinone hydrochloride, 3(2H)-Isothiazolone, 2-octyl-, hydrochloride, 2-Octyl-2H-isothiazol-3-one hydrochloride, 2-octyl-1,2-thiazol-3-one hydrochloride, 2-n-Octyl-4-isothiazolin-3-one, hydrochloride
| Molecular Formula | C11H20ClNOS |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 3.69 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 249.09541 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 68480-30-8 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)C=CS1.Cl |
| InChIKey | DPGJMCSIMCJAOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) (CAS 68480-30-8), with molecular formula C11H20ClNOS and molecular weight 249.10 g/mol. IUPAC: 2-octyl-1,2-thiazol-3-one;hydrochloride.
Chemical Property Profile of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)
Property Insights of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)
The XLogP value of 3.69 indicates that 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) has 1 hydrogen bond donor(s) and 2 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-辛基-3(2H)-异噻唑酮盐酸盐(1:1)?
The CAS number of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) is 68480-30-8.
What is the molecular formula of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)?
The molecular formula of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) is C11H20ClNOS.
What is the molecular weight of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)?
The molecular weight of 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) is 249.10 g/mol.
Where can I buy 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)?
You can request a quote for 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-辛基-3(2H)-异噻唑酮盐酸盐(1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.