3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
TL;DR: 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338415-55-7) is a chemical compound with molecular formula C16H13NO2S and molecular weight 283.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylphenyl)methyl]-1,3-benzothiazine-2,4-dione
Also Known As: 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione, 3-[(2-methylphenyl)methyl]-1,3-benzothiazine-2,4-dione, 3-(2-methylbenzyl)-1,3-benzothiazine-2,4-quinone, 3-[(2-methylphenyl)methyl]-3,4-dihydro-2H-1,3-benzothiazine-2,4-dione, 3-[(2-Methylphenyl)methyl]-2H-1,3-benzothiazine-2,4(3H)-dione
| Molecular Formula | C16H13NO2S |
|---|---|
| Molecular Weight | 283.07 g/mol |
| LogP | 2.77992 |
| Topological Polar Surface Area | 39.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.0667 |
| Heavy Atoms | 20 |
| Complexity | 892.6077 |
Chemical Identifiers
| CAS Number | 338415-55-7 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3SC2=O |
Product Overview
3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338415-55-7), with molecular formula C16H13NO2S and molecular weight 283.07 g/mol. IUPAC: 3-[(2-methylphenyl)methyl]-1,3-benzothiazine-2,4-dione.
Chemical Property Profile of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
Property Insights of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
The XLogP value of 2.77992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione. With a topological polar surface area (TPSA) of 39.07 Ų, 3-(2-methylbenzyl)-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-(2-methylbenzyl)-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-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
The CAS number of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione is 338415-55-7.
What is the molecular formula of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular formula of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione is C16H13NO2S.
What is the molecular weight of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular weight of 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione is 283.07 g/mol.
Where can I buy 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
You can request a quote for 3-(2-methylbenzyl)-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-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylbenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.