2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent
TL;DR: 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent (CAS 88061-94-3) is a chemical compound with molecular formula C16H9Br5N6O and molecular weight 695.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,12-dibromo-N-(4-methoxyphenyl)-7-(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,4,6,9,11-pentaen-3-imine
Also Known As: 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent, 7,9-Dibromo-N-(4-methoxyphenyl)-5-(tribromomethyl)-1,3,4,6,9b-pentaazaphenalen-2-amine, 10,12-dibromo-N-(4-methoxyphenyl)-7-(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,4,6,9,11-pentaen-3-imine
| Molecular Formula | C16H9Br5N6O |
|---|---|
| Molecular Weight | 695.68 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 695.6755 |
| Heavy Atoms | 28 |
| Complexity | 876.0 |
Chemical Identifiers
| CAS Number | 88061-94-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N=C2N=C3C(=CC(=C4N3C(=N2)N=C(N4)C(Br)(Br)Br)Br)Br |
| InChIKey | OTTFZRIIZHDLKJ-UHFFFAOYSA-N |
Product Overview
2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent (CAS 88061-94-3), with molecular formula C16H9Br5N6O and molecular weight 695.68 g/mol. IUPAC: 10,12-dibromo-N-(4-methoxyphenyl)-7-(tribromomethyl)-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,4,6,9,11-pentaen-3-imine.
Chemical Property Profile of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent
Property Insights of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent
The XLogP value of 5.2 indicates that 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent. Following Lipinski's Rule of Five, 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent?
The CAS number of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent is 88061-94-3.
What is the molecular formula of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent?
The molecular formula of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent is C16H9Br5N6O.
What is the molecular weight of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent?
The molecular weight of 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent is 695.68 g/mol.
Where can I buy 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent?
You can request a quote for 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent?
Yes, KEHONG BIO provides custom synthesis services for 2-(p-anisidino)-7,9-dibromo-5-tribromomethyl-1,3,4,6,9b-pent and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.