![Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate structure](/static/products/6978/6978-10-5.webp)
Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate
TL;DR: Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate (CAS 6978-10-5) is a chemical compound with molecular formula C21H16Br2N2O4S and molecular weight 549.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate
Also Known As: Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate, Methyl 4-[({[(1,6-dibromonaphthalen-2-yl)oxy]acetyl}carbamothioyl)amino]benzoate, methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate
| Molecular Formula | C21H16Br2N2O4S |
|---|---|
| Molecular Weight | 549.92 g/mol |
| LogP | 5.0434 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.91974 |
| Heavy Atoms | 30 |
| Complexity | 1119.9395 |
Chemical Identifiers
| CAS Number | 6978-10-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br |
Product Overview
Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate (CAS 6978-10-5), with molecular formula C21H16Br2N2O4S and molecular weight 549.92 g/mol. IUPAC: methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate
Property Insights of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate
The XLogP value of 5.0434 indicates that Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate. Following Lipinski's Rule of Five, Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate has 2 hydrogen bond donor(s) and 5 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-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate?
The CAS number of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate is 6978-10-5.
What is the molecular formula of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate?
The molecular formula of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate is C21H16Br2N2O4S.
What is the molecular weight of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate?
The molecular weight of Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate is 549.92 g/mol.
Where can I buy Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate?
You can request a quote for Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]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-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]thiocarbamoylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.