2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
TL;DR: 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one (CAS 20751-75-1) is a chemical compound with molecular formula C10H10ClNOS and molecular weight 227.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
Also Known As: 4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzothiazine, 4-(2-Chloroacetyl)-2H-1,4-benzothiazine, 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone, Ethanone, 2-chloro-1-(2,3-dihydro-4H-1,4-benzothiazin-4-yl)-, 1-(2H-Benzo[b][1,4]thiazin-4(3H)-yl)-2-chloroethanone
| Molecular Formula | C10H10ClNOS |
|---|---|
| Molecular Weight | 227.02 g/mol |
| LogP | 2.3641 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.01717 |
| Heavy Atoms | 14 |
| Complexity | 355.73016 |
Chemical Identifiers
| CAS Number | 20751-75-1 |
|---|---|
| SMILES | C1CSC2=CC=CC=C2N1C(=O)CCl |
Product Overview
2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one (CAS 20751-75-1), with molecular formula C10H10ClNOS and molecular weight 227.02 g/mol. IUPAC: 2-chloro-1-(2,3-dihydro-1,4-benzothiazin-4-yl)ethanone.
Chemical Property Profile of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
Property Insights of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one
The XLogP value of 2.3641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one has 0 hydrogen bond donor(s) and 2 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-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one?
The CAS number of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one is 20751-75-1.
What is the molecular formula of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one?
The molecular formula of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one is C10H10ClNOS.
What is the molecular weight of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one?
The molecular weight of 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one is 227.02 g/mol.
Where can I buy 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one?
You can request a quote for 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-(3,4-dihydro-2H-1,4-benzothiazin-4-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.