ChemDiv1_027326
TL;DR: ChemDiv1_027326 (CAS 299198-81-5) is a chemical compound with molecular formula C21H20N4O2 and molecular weight 360.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3,4-dimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: ChemDiv1_027326, 2-amino-4-(3,4-dimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, J2.791.302D, 2-amino-4-(3,4-dimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile, A0063/0002767
| Molecular Formula | C21H20N4O2 |
|---|---|
| Molecular Weight | 360.16 g/mol |
| LogP | 3.29744 |
| Topological Polar Surface Area | 115.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.15863 |
| Heavy Atoms | 27 |
| Complexity | 941.86444 |
Chemical Identifiers
| CAS Number | 299198-81-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N)OC |
Product Overview
ChemDiv1_027326 (CAS 299198-81-5), with molecular formula C21H20N4O2 and molecular weight 360.16 g/mol. IUPAC: 2-amino-4-(3,4-dimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of ChemDiv1_027326
Property Insights of ChemDiv1_027326
The XLogP value of 3.29744 indicates that ChemDiv1_027326 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027326. Following Lipinski's Rule of Five, ChemDiv1_027326 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_027326?
The CAS number of ChemDiv1_027326 is 299198-81-5.
What is the molecular formula of ChemDiv1_027326?
The molecular formula of ChemDiv1_027326 is C21H20N4O2.
What is the molecular weight of ChemDiv1_027326?
The molecular weight of ChemDiv1_027326 is 360.16 g/mol.
Where can I buy ChemDiv1_027326?
You can request a quote for ChemDiv1_027326 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027326?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027326 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.