ChemDiv1_021543
TL;DR: ChemDiv1_021543 (CAS 305331-76-4) is a chemical compound with molecular formula C32H29N5 and molecular weight 483.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(4-benzhydrylpiperazin-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv1_021543, BAS 00312788, 11-(4-benzhydryl-1-piperazinyl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, AF-399/36011054, 16-(4-Benzhydrylpiperazin-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
| Molecular Formula | C32H29N5 |
|---|---|
| Molecular Weight | 483.24 g/mol |
| LogP | 5.75948 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.2423 |
| Heavy Atoms | 37 |
| Complexity | 1583.5013 |
Chemical Identifiers
| CAS Number | 305331-76-4 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7)C#N |
Product Overview
ChemDiv1_021543 (CAS 305331-76-4), with molecular formula C32H29N5 and molecular weight 483.24 g/mol. IUPAC: 16-(4-benzhydrylpiperazin-1-yl)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile.
Chemical Property Profile of ChemDiv1_021543
Property Insights of ChemDiv1_021543
The XLogP value of 5.75948 indicates that ChemDiv1_021543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.57 Ų, ChemDiv1_021543 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021543 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021543?
The CAS number of ChemDiv1_021543 is 305331-76-4.
What is the molecular formula of ChemDiv1_021543?
The molecular formula of ChemDiv1_021543 is C32H29N5.
What is the molecular weight of ChemDiv1_021543?
The molecular weight of ChemDiv1_021543 is 483.24 g/mol.
Where can I buy ChemDiv1_021543?
You can request a quote for ChemDiv1_021543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.