Bionet1_003081
TL;DR: Bionet1_003081 (CAS 318256-30-3) is a chemical compound with molecular formula C21H24ClN3O2 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-N-tert-butyl-2-N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
Also Known As: Bionet1_003081, N~3~-(tert-butyl)-N~2~-(4-chlorophenyl)-3,4-dihydro-2,3(1H)-isoquinolinedicarboxamide, 4N-730, N3-tert-butyl-N2-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxamide, 3-N-tert-butyl-2-N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide
| Molecular Formula | C21H24ClN3O2 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 4.2135 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.1557 |
| Heavy Atoms | 27 |
| Complexity | 843.25037 |
Chemical Identifiers
| CAS Number | 318256-30-3 |
|---|---|
| SMILES | CC(C)(C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=C(C=C3)Cl |
Product Overview
Bionet1_003081 (CAS 318256-30-3), with molecular formula C21H24ClN3O2 and molecular weight 385.16 g/mol. IUPAC: 3-N-tert-butyl-2-N-(4-chlorophenyl)-3,4-dihydro-1H-isoquinoline-2,3-dicarboxamide.
Chemical Property Profile of Bionet1_003081
Property Insights of Bionet1_003081
The XLogP value of 4.2135 indicates that Bionet1_003081 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_003081. Following Lipinski's Rule of Five, Bionet1_003081 has 2 hydrogen bond donor(s) and 2 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 Bionet1_003081?
The CAS number of Bionet1_003081 is 318256-30-3.
What is the molecular formula of Bionet1_003081?
The molecular formula of Bionet1_003081 is C21H24ClN3O2.
What is the molecular weight of Bionet1_003081?
The molecular weight of Bionet1_003081 is 385.16 g/mol.
Where can I buy Bionet1_003081?
You can request a quote for Bionet1_003081 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_003081?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_003081 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.