A3963/0168919
TL;DR: A3963/0168919 (CAS 488793-86-8) is a chemical compound with molecular formula C29H23Br2N3O and molecular weight 587.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-bis(4-bromophenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide
Also Known As: A3963/0168919, 1,4-bis(4-bromophenyl)-N-phenyl-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide, 2a,4a-Diazacyclopent[cd]azulene-2-carboxamide, 1,4-bis(4-bromophenyl)-5,6,7,8-tetrahydro-N-phenyl-
| Molecular Formula | C29H23Br2N3O |
|---|---|
| Molecular Weight | 587.02 g/mol |
| LogP | 8.1884 |
| Topological Polar Surface Area | 38.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 587.0208 |
| Heavy Atoms | 35 |
| Complexity | 1531.6622 |
Chemical Identifiers
| CAS Number | 488793-86-8 |
|---|---|
| SMILES | C1CCN2C(=CN3C2=C(C1)C(=C3C(=O)NC4=CC=CC=C4)C5=CC=C(C=C5)Br)C6=CC=C(C=C6)Br |
Product Overview
A3963/0168919 (CAS 488793-86-8), with molecular formula C29H23Br2N3O and molecular weight 587.02 g/mol. IUPAC: 2,6-bis(4-bromophenyl)-N-phenyl-1,4-diazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene-5-carboxamide.
Chemical Property Profile of A3963/0168919
Property Insights of A3963/0168919
The XLogP value of 8.1884 indicates that A3963/0168919 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.44 Ų, A3963/0168919 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3963/0168919 has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3963/0168919?
The CAS number of A3963/0168919 is 488793-86-8.
What is the molecular formula of A3963/0168919?
The molecular formula of A3963/0168919 is C29H23Br2N3O.
What is the molecular weight of A3963/0168919?
The molecular weight of A3963/0168919 is 587.02 g/mol.
Where can I buy A3963/0168919?
You can request a quote for A3963/0168919 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3963/0168919?
Yes, KEHONG BIO provides custom synthesis services for A3963/0168919 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.