2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one
TL;DR: 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one (CAS 84012-54-4) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one
Also Known As: EINECS 281-694-4, 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one, EINECS 281-690-2, 2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one, 2-morpholinomethyl1,2-benzisothiazol-3(2h)-one
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 1.3527 |
| Topological Polar Surface Area | 34.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 569.13446 |
Chemical Identifiers
| CAS Number | 84012-54-4 |
|---|---|
| SMILES | C1COCCN1CN2C(=O)C3=CC=CC=C3S2 |
Product Overview
2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one (CAS 84012-54-4), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-(morpholin-4-ylmethyl)-1,2-benzothiazol-3-one.
Chemical Property Profile of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one
Property Insights of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one
The XLogP value of 1.3527 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one. With a topological polar surface area (TPSA) of 34.47 Ų, 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one 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 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one?
The CAS number of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one is 84012-54-4.
What is the molecular formula of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one?
The molecular formula of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one is C12H14N2O2S.
What is the molecular weight of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one?
The molecular weight of 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one is 250.08 g/mol.
Where can I buy 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one?
You can request a quote for 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Morpholinylmethyl)-1,2-benzisothiazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.