12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate
TL;DR: 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate (CAS 6810-87-3) is a chemical compound with molecular formula C25H18Br2NO3- and molecular weight 537.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(benzylcarbamoyl)-1,8-dibromotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate
Also Known As: 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate
| Molecular Formula | C25H18Br2NO3- |
|---|---|
| Molecular Weight | 537.97 g/mol |
| LogP | 3.5893 |
| Topological Polar Surface Area | 69.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 537.96533 |
| Heavy Atoms | 31 |
| Complexity | 1146.6362 |
Chemical Identifiers
| CAS Number | 6810-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2C(C3(C4=CC=CC=C4C2(C5=CC=CC=C53)Br)Br)C(=O)[O-] |
Product Overview
12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate (CAS 6810-87-3), with molecular formula C25H18Br2NO3- and molecular weight 537.97 g/mol. IUPAC: 16-(benzylcarbamoyl)-1,8-dibromotetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate.
Chemical Property Profile of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate
Property Insights of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate
The XLogP value of 3.5893 indicates that 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate. Following Lipinski's Rule of Five, 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate?
The CAS number of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate is 6810-87-3.
What is the molecular formula of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate?
The molecular formula of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate is C25H18Br2NO3-.
What is the molecular weight of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate?
The molecular weight of 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate is 537.97 g/mol.
Where can I buy 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate?
You can request a quote for 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 12-(Benzylcarbamoyl)-9,10-dibromo-9,10-dihydro-9,10-ethanoanthracene-11-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.