methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
TL;DR: methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate (CAS 303987-91-9) is a chemical compound with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate
Also Known As: 11N-527S, methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, methyl 4-[(4-chlorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate, methyl 4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate, Methyl 4-[(4-chlorophenyl)methyl]-3,4-dihydro-3-oxo-2H-1,4-benzothiazine-6-carboxylate
| Molecular Formula | C17H14ClNO3S |
|---|---|
| Molecular Weight | 347.04 g/mol |
| LogP | 3.7655 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.0383 |
| Heavy Atoms | 23 |
| Complexity | 760.93384 |
Chemical Identifiers
| CAS Number | 303987-91-9 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=CC=C(C=C3)Cl |
Product Overview
methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate (CAS 303987-91-9), with molecular formula C17H14ClNO3S and molecular weight 347.04 g/mol. IUPAC: methyl 4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate.
Chemical Property Profile of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
Property Insights of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate
The XLogP value of 3.7655 indicates that methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate 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 methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The CAS number of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is 303987-91-9.
What is the molecular formula of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The molecular formula of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is C17H14ClNO3S.
What is the molecular weight of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
The molecular weight of methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate is 347.04 g/mol.
Where can I buy methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
You can request a quote for methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(4-chlorobenzyl)-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.