Benzothiazole, 4-chloro-2-(2-propynyloxy)-
TL;DR: Benzothiazole, 4-chloro-2-(2-propynyloxy)- (CAS 864409-91-6) is a chemical compound with molecular formula C10H6ClNOS and molecular weight 222.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-prop-2-ynoxy-1,3-benzothiazole
Also Known As: Benzothiazole, 4-chloro-2-(2-propynyloxy)-, 4-chloro-2-prop-2-ynoxy-1,3-benzothiazole, 4-chloro-2-prop-2-ynoxy-benzothiazole, Benzothiazole, 4-chloro-2-(2-propyn-1-yloxy)-, 1,3-Benzothiazole, 4-chloro-2-(2-propynyloxy)-
| Molecular Formula | C10H6ClNOS |
|---|---|
| Molecular Weight | 222.99 g/mol |
| LogP | 2.9617 |
| Topological Polar Surface Area | 22.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.98586 |
| Heavy Atoms | 14 |
| Complexity | 500.2816 |
Chemical Identifiers
| CAS Number | 864409-91-6 |
|---|---|
| SMILES | C#CCOC1=NC2=C(S1)C=CC=C2Cl |
Product Overview
Benzothiazole, 4-chloro-2-(2-propynyloxy)- (CAS 864409-91-6), with molecular formula C10H6ClNOS and molecular weight 222.99 g/mol. IUPAC: 4-chloro-2-prop-2-ynoxy-1,3-benzothiazole.
Chemical Property Profile of Benzothiazole, 4-chloro-2-(2-propynyloxy)-
Property Insights of Benzothiazole, 4-chloro-2-(2-propynyloxy)-
The XLogP value of 2.9617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzothiazole, 4-chloro-2-(2-propynyloxy)-. With a topological polar surface area (TPSA) of 22.12 Ų, Benzothiazole, 4-chloro-2-(2-propynyloxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzothiazole, 4-chloro-2-(2-propynyloxy)- has 0 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 Benzothiazole, 4-chloro-2-(2-propynyloxy)-?
The CAS number of Benzothiazole, 4-chloro-2-(2-propynyloxy)- is 864409-91-6.
What is the molecular formula of Benzothiazole, 4-chloro-2-(2-propynyloxy)-?
The molecular formula of Benzothiazole, 4-chloro-2-(2-propynyloxy)- is C10H6ClNOS.
What is the molecular weight of Benzothiazole, 4-chloro-2-(2-propynyloxy)-?
The molecular weight of Benzothiazole, 4-chloro-2-(2-propynyloxy)- is 222.99 g/mol.
Where can I buy Benzothiazole, 4-chloro-2-(2-propynyloxy)-?
You can request a quote for Benzothiazole, 4-chloro-2-(2-propynyloxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzothiazole, 4-chloro-2-(2-propynyloxy)-?
Yes, KEHONG BIO provides custom synthesis services for Benzothiazole, 4-chloro-2-(2-propynyloxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.