ChemDiv1_027461
TL;DR: ChemDiv1_027461 (CAS 77198-43-7) is a chemical compound with molecular formula C20H18N4O and molecular weight 330.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: ChemDiv1_027461, J2.791.300H, 2-amino-4-(4-methoxyphenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile, A1688/0072108, 2-AMINO-4-(4-METHOXYPHENYL)-3,4,4A,5,6,7-HEXAHYDRONAPHTHALENE-1,3,3-TRICARBONITRILE
| Molecular Formula | C20H18N4O |
|---|---|
| Molecular Weight | 330.15 g/mol |
| LogP | 3.28884 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.14807 |
| Heavy Atoms | 25 |
| Complexity | 860.2468 |
Chemical Identifiers
| CAS Number | 77198-43-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N |
Product Overview
ChemDiv1_027461 (CAS 77198-43-7), with molecular formula C20H18N4O and molecular weight 330.15 g/mol. IUPAC: 2-amino-4-(4-methoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of ChemDiv1_027461
Property Insights of ChemDiv1_027461
The XLogP value of 3.28884 indicates that ChemDiv1_027461 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027461. Following Lipinski's Rule of Five, ChemDiv1_027461 has 1 hydrogen bond donor(s) and 5 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_027461?
The CAS number of ChemDiv1_027461 is 77198-43-7.
What is the molecular formula of ChemDiv1_027461?
The molecular formula of ChemDiv1_027461 is C20H18N4O.
What is the molecular weight of ChemDiv1_027461?
The molecular weight of ChemDiv1_027461 is 330.15 g/mol.
Where can I buy ChemDiv1_027461?
You can request a quote for ChemDiv1_027461 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027461?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027461 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.