ChemDiv1_021719
TL;DR: ChemDiv1_021719 (CAS 307327-28-2) is a chemical compound with molecular formula C22H18N4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(benzylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv1_021719, BAS 00312796, 11-(benzylamino)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile, 4-Benzylamino-2,3-dihydro-1H-4a,9-diaza-cyclopenta[b]fluorene-10-carbonitrile, 11-(benzylamino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile
| Molecular Formula | C22H18N4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 53.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.15314 |
| Heavy Atoms | 26 |
| Complexity | 548.0 |
Chemical Identifiers
| CAS Number | 307327-28-2 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCC5=CC=CC=C5)C#N |
| InChIKey | HOMCCAGVIACGMF-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021719 (CAS 307327-28-2), with molecular formula C22H18N4 and molecular weight 338.15 g/mol. IUPAC: 16-(benzylamino)-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_021719
Property Insights of ChemDiv1_021719
The XLogP value of 5.6 indicates that ChemDiv1_021719 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.1 Ų, ChemDiv1_021719 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021719 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_021719?
The CAS number of ChemDiv1_021719 is 307327-28-2.
What is the molecular formula of ChemDiv1_021719?
The molecular formula of ChemDiv1_021719 is C22H18N4.
What is the molecular weight of ChemDiv1_021719?
The molecular weight of ChemDiv1_021719 is 338.15 g/mol.
Where can I buy ChemDiv1_021719?
You can request a quote for ChemDiv1_021719 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021719?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021719 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.