A4079/0173843
TL;DR: A4079/0173843 (CAS 893768-88-2) is a chemical compound with molecular formula C29H28N6O5 and molecular weight 540.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-adamantyl-[3-(2-nitrophenyl)-2-[1-(2-nitrophenyl)imidazol-2-yl]-2H-imidazol-1-yl]methanone
Also Known As: A4079/0173843, [1',3-bis(2-nitrophenyl)-2,3-dihydro-1H,1'H-2,2'-biimidazol-1-yl](tricyclo[3.3.1.1~3,7~]dec-1-yl)methanone, 1-adamantyl-[3-(2-nitrophenyl)-2-[1-(2-nitrophenyl)imidazol-2-yl]-2H-imidazol-1-yl]methanone, 1-(1-adamantylcarbonyl)-1',3-bis(2-nitrophenyl)-2,3-dihydro-1H,1'H-2,2'-biimidazole, 1-(ADAMANTANE-1-CARBONYL)-1',3-BIS(2-NITROPHENYL)-2,3-DIHYDRO-1H,1'H-2,2'-BIIMIDAZOLE
| Molecular Formula | C29H28N6O5 |
|---|---|
| Molecular Weight | 540.21 g/mol |
| LogP | 5.7237 |
| Topological Polar Surface Area | 127.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.2121 |
| Heavy Atoms | 40 |
| Complexity | 1528.1617 |
Chemical Identifiers
| CAS Number | 893768-88-2 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)N4C=CN(C4C5=NC=CN5C6=CC=CC=C6[N+](=O)[O-])C7=CC=CC=C7[N+](=O)[O-] |
Product Overview
A4079/0173843 (CAS 893768-88-2), with molecular formula C29H28N6O5 and molecular weight 540.21 g/mol. IUPAC: 1-adamantyl-[3-(2-nitrophenyl)-2-[1-(2-nitrophenyl)imidazol-2-yl]-2H-imidazol-1-yl]methanone.
Chemical Property Profile of A4079/0173843
Property Insights of A4079/0173843
The XLogP value of 5.7237 indicates that A4079/0173843 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.65 Ų falls within the moderate polarity range, balancing permeability and solubility for A4079/0173843. Following Lipinski's Rule of Five, A4079/0173843 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4079/0173843?
The CAS number of A4079/0173843 is 893768-88-2.
What is the molecular formula of A4079/0173843?
The molecular formula of A4079/0173843 is C29H28N6O5.
What is the molecular weight of A4079/0173843?
The molecular weight of A4079/0173843 is 540.21 g/mol.
Where can I buy A4079/0173843?
You can request a quote for A4079/0173843 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4079/0173843?
Yes, KEHONG BIO provides custom synthesis services for A4079/0173843 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.