ChemDiv1_021675
TL;DR: ChemDiv1_021675 (CAS 163080-63-5) is a chemical compound with molecular formula C26H25N5 and molecular weight 407.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(4-benzylpiperazin-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_021675, BAS 00312791, 11-(4-benzylpiperazin-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-(4-BENZYL-1-PIPERAZINYL)-2,3-DIHYDRO-1H-CYCLOPENTA[4,5]PYRIDO[1,2-A]BENZIMIDAZOLE-4-CARBONITRILE, 11-(4-benzylpiperazin-1-yl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C26H25N5 |
|---|---|
| Molecular Weight | 407.21 g/mol |
| LogP | 4.17008 |
| Topological Polar Surface Area | 47.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 407.211 |
| Heavy Atoms | 31 |
| Complexity | 1306.8813 |
Chemical Identifiers
| CAS Number | 163080-63-5 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)N5CCN(CC5)CC6=CC=CC=C6)C#N |
Product Overview
ChemDiv1_021675 (CAS 163080-63-5), with molecular formula C26H25N5 and molecular weight 407.21 g/mol. IUPAC: 16-(4-benzylpiperazin-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_021675
Property Insights of ChemDiv1_021675
The XLogP value of 4.17008 indicates that ChemDiv1_021675 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_021675 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021675 has 0 hydrogen bond donor(s) and 4 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 ChemDiv1_021675?
The CAS number of ChemDiv1_021675 is 163080-63-5.
What is the molecular formula of ChemDiv1_021675?
The molecular formula of ChemDiv1_021675 is C26H25N5.
What is the molecular weight of ChemDiv1_021675?
The molecular weight of ChemDiv1_021675 is 407.21 g/mol.
Where can I buy ChemDiv1_021675?
You can request a quote for ChemDiv1_021675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021675?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.