3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
TL;DR: 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338401-62-0) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methoxyphenyl)methyl]-1,3-benzothiazine-2,4-dione
Also Known As: Bionet2_001056, 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione, 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazine-2,4-dione, 3-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,3-benzothiazine-2,4-dione
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 2.4801 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 893.7794 |
Chemical Identifiers
| CAS Number | 338401-62-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3SC2=O |
Product Overview
3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione (CAS 338401-62-0), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 3-[(4-methoxyphenyl)methyl]-1,3-benzothiazine-2,4-dione.
Chemical Property Profile of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
Property Insights of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione
The XLogP value of 2.4801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione. With a topological polar surface area (TPSA) of 48.3 Ų, 3-(4-methoxybenzyl)-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-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione 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 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
The CAS number of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione is 338401-62-0.
What is the molecular formula of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular formula of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione is C16H13NO3S.
What is the molecular weight of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
The molecular weight of 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione is 299.06 g/mol.
Where can I buy 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
You can request a quote for 3-(4-methoxybenzyl)-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-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxybenzyl)-2H-1,3-benzothiazine-2,4(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.