![Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate structure](/static/products/405/405903-45-9.png)
Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
TL;DR: Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate (CAS 405903-45-9) is a chemical compound with molecular formula C26H22ClN3O4S and molecular weight 507.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Also Known As: Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate, methyl 4-[({(2Z)-3-benzyl-2-[(4-chlorophenyl)imino]-4-oxo-1,3-thiazinan-6-yl}carbonyl)amino]benzoate, (Z)-methyl 4-(3-benzyl-2-((4-chlorophenyl)imino)-4-oxo-1,3-thiazinane-6-carboxamido)benzoate, METHYL 4-[(2Z)-3-BENZYL-2-[(4-CHLOROPHENYL)IMINO]-4-OXO-1,3-THIAZINANE-6-AMIDO]BENZOATE
| Molecular Formula | C26H22ClN3O4S |
|---|---|
| Molecular Weight | 507.10 g/mol |
| LogP | 5.2871 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 507.10196 |
| Heavy Atoms | 35 |
| Complexity | 1247.8533 |
Chemical Identifiers
| CAS Number | 405903-45-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC=C(C=C3)Cl)S2)CC4=CC=CC=C4 |
Product Overview
Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate (CAS 405903-45-9), with molecular formula C26H22ClN3O4S and molecular weight 507.10 g/mol. IUPAC: methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate.
Chemical Property Profile of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
Property Insights of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate
The XLogP value of 5.2871 indicates that Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate?
The CAS number of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate is 405903-45-9.
What is the molecular formula of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate?
The molecular formula of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate is C26H22ClN3O4S.
What is the molecular weight of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate?
The molecular weight of Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate is 507.10 g/mol.
Where can I buy Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate?
You can request a quote for Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[3-benzyl-2-(4-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.