ChemDiv1_021804
TL;DR: ChemDiv1_021804 (CAS 83049-49-4) is a chemical compound with molecular formula C20H19N5O and molecular weight 345.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: ChemDiv1_021804, 6-AMINO-8(4-MEO-PH)2-ME-2,3,8,8A-TETRAHYDRO-5,7,7(1H)ISOQUINOLINETRICARBONITRILE, 6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-AMINO-8-(4-METHOXYPHENYL)-2-METHYL-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE, 6-amino-8-(4-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-1h-isoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C20H19N5O |
|---|---|
| Molecular Weight | 345.16 g/mol |
| LogP | 2.05034 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 345.15897 |
| Heavy Atoms | 26 |
| Complexity | 893.49554 |
Chemical Identifiers
| CAS Number | 83049-49-4 |
|---|---|
| SMILES | CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)OC |
Product Overview
ChemDiv1_021804 (CAS 83049-49-4), with molecular formula C20H19N5O and molecular weight 345.16 g/mol. IUPAC: 6-amino-8-(4-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of ChemDiv1_021804
Property Insights of ChemDiv1_021804
The XLogP value of 2.05034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_021804. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_021804. Following Lipinski's Rule of Five, ChemDiv1_021804 has 1 hydrogen bond donor(s) and 6 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_021804?
The CAS number of ChemDiv1_021804 is 83049-49-4.
What is the molecular formula of ChemDiv1_021804?
The molecular formula of ChemDiv1_021804 is C20H19N5O.
What is the molecular weight of ChemDiv1_021804?
The molecular weight of ChemDiv1_021804 is 345.16 g/mol.
Where can I buy ChemDiv1_021804?
You can request a quote for ChemDiv1_021804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_021804?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_021804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.