RefChem:255614
TL;DR: RefChem:255614 (CAS 299198-70-2) is a chemical compound with molecular formula C22H22N4O3 and molecular weight 390.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(3,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
Also Known As: ChemDiv1_024782, A0047/0001965, 2-amino-4-(3,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile, 2-Amino-4a,5,6,7-tetrahydro-4-(3,4,5-trimethoxyphenyl)-1,3,3(4H)-naphthalenetricarbonitrile, 2-amino-4-(3,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydro-1,3,3(4H)-naphthalenetricarbonitrile
| Molecular Formula | C22H22N4O3 |
|---|---|
| Molecular Weight | 390.17 g/mol |
| LogP | 3.30604 |
| Topological Polar Surface Area | 125.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.1692 |
| Heavy Atoms | 29 |
| Complexity | 980.9588 |
Chemical Identifiers
| CAS Number | 299198-70-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3CCCC=C3C(=C(C2(C#N)C#N)N)C#N |
Product Overview
RefChem:255614 (CAS 299198-70-2), with molecular formula C22H22N4O3 and molecular weight 390.17 g/mol. IUPAC: 2-amino-4-(3,4,5-trimethoxyphenyl)-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
Chemical Property Profile of RefChem:255614
Property Insights of RefChem:255614
The XLogP value of 3.30604 indicates that RefChem:255614 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:255614. Following Lipinski's Rule of Five, RefChem:255614 has 1 hydrogen bond donor(s) and 7 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 RefChem:255614?
The CAS number of RefChem:255614 is 299198-70-2.
What is the molecular formula of RefChem:255614?
The molecular formula of RefChem:255614 is C22H22N4O3.
What is the molecular weight of RefChem:255614?
The molecular weight of RefChem:255614 is 390.17 g/mol.
Where can I buy RefChem:255614?
You can request a quote for RefChem:255614 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:255614?
Yes, KEHONG BIO provides custom synthesis services for RefChem:255614 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.