1,3-Azulenedicarbonitrile, 2-amino-6-bromo-
TL;DR: 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- (CAS 53535-45-8) is a chemical compound with molecular formula C12H6BrN3 and molecular weight 270.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-bromoazulene-1,3-dicarbonitrile
Also Known As: 2-amino-6-bromo-1,3-dicyanoazulene, 2-Amino-6-bromo-1,3-azulenedicarbonitrile, 2-amino-6-bromoazulene-1,3-dicarbonitrile, 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-, 2-Amino-6-bromo-1,3-azulenedicarbonitrile #
| Molecular Formula | C12H6BrN3 |
|---|---|
| Molecular Weight | 270.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.97452 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 53535-45-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C(C2=CC=C1Br)C#N)N)C#N |
| InChIKey | LTPMFSWHJMHISK-UHFFFAOYSA-N |
Product Overview
1,3-Azulenedicarbonitrile, 2-amino-6-bromo- (CAS 53535-45-8), with molecular formula C12H6BrN3 and molecular weight 270.97 g/mol. IUPAC: 2-amino-6-bromoazulene-1,3-dicarbonitrile.
Chemical Property Profile of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-
Property Insights of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-. Following Lipinski's Rule of Five, 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- has 1 hydrogen bond donor(s) and 3 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 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-?
The CAS number of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- is 53535-45-8.
What is the molecular formula of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-?
The molecular formula of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- is C12H6BrN3.
What is the molecular weight of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-?
The molecular weight of 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- is 270.97 g/mol.
Where can I buy 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-?
You can request a quote for 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Azulenedicarbonitrile, 2-amino-6-bromo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Azulenedicarbonitrile, 2-amino-6-bromo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.