3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid
TL;DR: 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid (CAS 37012-79-6) is a chemical compound with molecular formula C11H11NO3S and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid
Also Known As: 3-(3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid, 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid, 3-(3-Oxo-2H-benzo[b][1,4]thiazin-4(3H)-yl)propanoic acid, 3-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)propanoic acid, N-(carboxyethyl)-2H-benzothiazine-3-one
| Molecular Formula | C11H11NO3S |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.04596 |
| Heavy Atoms | 16 |
| Complexity | 432.99277 |
Chemical Identifiers
| CAS Number | 37012-79-6 |
|---|---|
| SMILES | C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)O |
Product Overview
3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid (CAS 37012-79-6), with molecular formula C11H11NO3S and molecular weight 237.05 g/mol. IUPAC: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid.
Chemical Property Profile of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid
Property Insights of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid. With a topological polar surface area (TPSA) of 57.61 Ų, 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid 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 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid?
The CAS number of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid is 37012-79-6.
What is the molecular formula of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid?
The molecular formula of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid is C11H11NO3S.
What is the molecular weight of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid?
The molecular weight of 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid is 237.05 g/mol.
Where can I buy 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid?
You can request a quote for 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.