5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)
TL;DR: 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) (CAS 81732-49-2) is a chemical compound with molecular formula C14H17BrN2O5 and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-bromoacetyl)-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate
Also Known As: Bambuterol Impurity N1, Bambuterol Impurity 16, 5- -1,3-phenylenebis, 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate), EINECS 279-805-6
| Molecular Formula | C14H17BrN2O5 |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 2.385 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.03207 |
| Heavy Atoms | 22 |
| Complexity | 546.34595 |
Chemical Identifiers
| CAS Number | 81732-49-2 |
|---|---|
| SMILES | CN(C)C(=O)OC1=CC(=CC(=C1)C(=O)CBr)OC(=O)N(C)C |
Product Overview
5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) (CAS 81732-49-2), with molecular formula C14H17BrN2O5 and molecular weight 372.03 g/mol. IUPAC: [3-(2-bromoacetyl)-5-(dimethylcarbamoyloxy)phenyl] N,N-dimethylcarbamate.
Chemical Property Profile of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)
Property Insights of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)
The XLogP value of 2.385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate). The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate). Following Lipinski's Rule of Five, 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) has 0 hydrogen bond donor(s) and 5 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 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)?
The CAS number of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) is 81732-49-2.
What is the molecular formula of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)?
The molecular formula of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) is C14H17BrN2O5.
What is the molecular weight of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)?
The molecular weight of 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) is 372.03 g/mol.
Where can I buy 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)?
You can request a quote for 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate)?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromoacetyl)-1,3-phenylene bis(dimethylcarbamate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.