5-(Oxiranylmethoxy)-1,2-benzisothiazole
TL;DR: 5-(Oxiranylmethoxy)-1,2-benzisothiazole (CAS 76919-33-0) is a chemical compound with molecular formula C10H9NO2S and molecular weight 207.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(oxiran-2-ylmethoxy)-1,2-benzothiazole
Also Known As: 5-(Oxiranylmethoxy)-1,2-benzisothiazole, 1,2-Benzisothiazole, 5-(oxiranylmethoxy)-, 5-(oxiran-2-ylmethoxy)-1,2-benzothiazole, 5-[(Oxiran-2-yl)methoxy]-1,2-benzothiazole, BRN 4744585
| Molecular Formula | C10H9NO2S |
|---|---|
| Molecular Weight | 207.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.0354 |
| Heavy Atoms | 14 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 76919-33-0 |
|---|---|
| SMILES | C1C(O1)COC2=CC3=C(C=C2)SN=C3 |
| InChIKey | OXMMDHQCPXZPLN-UHFFFAOYSA-N |
Product Overview
5-(Oxiranylmethoxy)-1,2-benzisothiazole (CAS 76919-33-0), with molecular formula C10H9NO2S and molecular weight 207.04 g/mol. IUPAC: 5-(oxiran-2-ylmethoxy)-1,2-benzothiazole.
Chemical Property Profile of 5-(Oxiranylmethoxy)-1,2-benzisothiazole
Property Insights of 5-(Oxiranylmethoxy)-1,2-benzisothiazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Oxiranylmethoxy)-1,2-benzisothiazole. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Oxiranylmethoxy)-1,2-benzisothiazole. Following Lipinski's Rule of Five, 5-(Oxiranylmethoxy)-1,2-benzisothiazole has 0 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 5-(Oxiranylmethoxy)-1,2-benzisothiazole?
The CAS number of 5-(Oxiranylmethoxy)-1,2-benzisothiazole is 76919-33-0.
What is the molecular formula of 5-(Oxiranylmethoxy)-1,2-benzisothiazole?
The molecular formula of 5-(Oxiranylmethoxy)-1,2-benzisothiazole is C10H9NO2S.
What is the molecular weight of 5-(Oxiranylmethoxy)-1,2-benzisothiazole?
The molecular weight of 5-(Oxiranylmethoxy)-1,2-benzisothiazole is 207.04 g/mol.
Where can I buy 5-(Oxiranylmethoxy)-1,2-benzisothiazole?
You can request a quote for 5-(Oxiranylmethoxy)-1,2-benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Oxiranylmethoxy)-1,2-benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Oxiranylmethoxy)-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.