2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one
TL;DR: 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one (CAS 15568-03-3) is a chemical compound with molecular formula C11H12N2OS and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-imino-3-propan-2-yl-1,3-benzothiazin-4-one
Also Known As: 2-imino-3-propan-2-yl-1,3-benzothiazin-4-one, Benzothiazin-4-one, (4H)1,3-, 2,3-dihydro-2-imino-3-isopropyl-, Benzothiazin-4-one,(4H)1,3-, 2,3-dihydro-2-imino-3-isopropyl-, 2-Imino-3-(propan-2-yl)-2,3-dihydro-4H-1,3-benzothiazin-4-one
| Molecular Formula | C11H12N2OS |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.06703 |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 15568-03-3 |
|---|---|
| SMILES | CC(C)N1C(=O)C2=CC=CC=C2SC1=N |
| InChIKey | SDKRXRYROLFJPO-UHFFFAOYSA-N |
Product Overview
2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one (CAS 15568-03-3), with molecular formula C11H12N2OS and molecular weight 220.07 g/mol. IUPAC: 2-imino-3-propan-2-yl-1,3-benzothiazin-4-one.
Chemical Property Profile of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one
Property Insights of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one. The TPSA of 69.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one. Following Lipinski's Rule of Five, 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-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-Imino-3-propan-2-yl-1,3-benzothiazin-4-one?
The CAS number of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one is 15568-03-3.
What is the molecular formula of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one?
The molecular formula of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one is C11H12N2OS.
What is the molecular weight of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one?
The molecular weight of 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one is 220.07 g/mol.
Where can I buy 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one?
You can request a quote for 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Imino-3-propan-2-yl-1,3-benzothiazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.