ChemDiv1_021499
TL;DR: ChemDiv1_021499 (CAS 305331-72-0) is a chemical compound with molecular formula C21H22N4 and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(azepan-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_021499, BAS 00312786, AF-399/09016019, 11-(azepan-1-yl)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile, 11-(1-azepanyl)-2,3-dihydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-4-carbonitrile
| Molecular Formula | C21H22N4 |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.18445 |
| Heavy Atoms | 25 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 305331-72-0 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C3CCCC3=C(C4=NC5=CC=CC=C5N24)C#N |
| InChIKey | POUIOQIDDHSBKX-UHFFFAOYSA-N |
Product Overview
ChemDiv1_021499 (CAS 305331-72-0), with molecular formula C21H22N4 and molecular weight 330.18 g/mol. IUPAC: 16-(azepan-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_021499
Property Insights of ChemDiv1_021499
The XLogP value of 5.4 indicates that ChemDiv1_021499 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, ChemDiv1_021499 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021499 has 0 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_021499?
The CAS number of ChemDiv1_021499 is 305331-72-0.
What is the molecular formula of ChemDiv1_021499?
The molecular formula of ChemDiv1_021499 is C21H22N4.
What is the molecular weight of ChemDiv1_021499?
The molecular weight of ChemDiv1_021499 is 330.18 g/mol.
Where can I buy ChemDiv1_021499?
You can request a quote for ChemDiv1_021499 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021499?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021499 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.