ChemDiv1_021807
TL;DR: ChemDiv1_021807 (CAS 305331-99-1) is a chemical compound with molecular formula C23H20N4 and molecular weight 352.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(2-phenylethylamino)-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,10,15-hexaene-10-carbonitrile
Also Known As: ChemDiv1_021807, UPCMLD0ENAT5766144:001, BAS 00312811, AB00133303-02, 16-[(2-phenylethyl)amino]-1,8-diazatetracyclo[7.7.0.0^{2,7}.0^{11,15}]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile
| Molecular Formula | C23H20N4 |
|---|---|
| Molecular Weight | 352.17 g/mol |
| LogP | 4.50248 |
| Topological Polar Surface Area | 53.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1688 |
| Heavy Atoms | 27 |
| Complexity | 1182.1705 |
Chemical Identifiers
| CAS Number | 305331-99-1 |
|---|---|
| SMILES | C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NCCC5=CC=CC=C5)C#N |
Product Overview
ChemDiv1_021807 (CAS 305331-99-1), with molecular formula C23H20N4 and molecular weight 352.17 g/mol. IUPAC: 16-(2-phenylethylamino)-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_021807
Property Insights of ChemDiv1_021807
The XLogP value of 4.50248 indicates that ChemDiv1_021807 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.12 Ų, ChemDiv1_021807 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_021807 has 1 hydrogen bond donor(s) and 3 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_021807?
The CAS number of ChemDiv1_021807 is 305331-99-1.
What is the molecular formula of ChemDiv1_021807?
The molecular formula of ChemDiv1_021807 is C23H20N4.
What is the molecular weight of ChemDiv1_021807?
The molecular weight of ChemDiv1_021807 is 352.17 g/mol.
Where can I buy ChemDiv1_021807?
You can request a quote for ChemDiv1_021807 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021807?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021807 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.