3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione
TL;DR: 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338401-64-2) is a chemical compound with molecular formula C11H9NO2S and molecular weight 219.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-cyclopropyl-1,3-benzothiazine-2,4-dione
Also Known As: 3-cyclopropyl-1,3-benzothiazine-2,4-dione, 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione, 2N-533S, 3-cyclopropyl-3,4-dihydro-2H-1,3-benzothiazine-2,4-dione
| Molecular Formula | C11H9NO2S |
|---|---|
| Molecular Weight | 219.04 g/mol |
| LogP | 1.7581 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.0354 |
| Heavy Atoms | 15 |
| Complexity | 636.81335 |
Chemical Identifiers
| CAS Number | 338401-64-2 |
|---|---|
| SMILES | C1CC1N2C(=O)C3=CC=CC=C3SC2=O |
Product Overview
3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338401-64-2), with molecular formula C11H9NO2S and molecular weight 219.04 g/mol. IUPAC: 3-cyclopropyl-1,3-benzothiazine-2,4-dione.
Chemical Property Profile of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione
Property Insights of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione
The XLogP value of 1.7581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione. With a topological polar surface area (TPSA) of 39.07 Ų, 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione 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 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione?
The CAS number of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione is 338401-64-2.
What is the molecular formula of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular formula of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione is C11H9NO2S.
What is the molecular weight of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular weight of 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione is 219.04 g/mol.
Where can I buy 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione?
You can request a quote for 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-cyclopropyl-2H-1,3-benzothiazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.