A1172/0054466
TL;DR: A1172/0054466 (CAS 302785-69-9) is a chemical compound with molecular formula C22H25N3O2 and molecular weight 363.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-5-oxo-4-(4-pyrrolidin-1-ylphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: A1172/0054466, 2-amino-7,7-dimethyl-5-oxo-4-[4-(pyrrolidin-1-yl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-7,7-dimethyl-5-oxo-4-(4-(pyrrolidin-1-yl)phenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-7,7-dimethyl-5-oxo-4-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-7,7-dimethyl-5-oxo-4-(4-pyrrolidin-1-ylphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
| Molecular Formula | C22H25N3O2 |
|---|---|
| Molecular Weight | 363.19 g/mol |
| LogP | 3.73768 |
| Topological Polar Surface Area | 79.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 363.19467 |
| Heavy Atoms | 27 |
| Complexity | 881.1281 |
Chemical Identifiers
| CAS Number | 302785-69-9 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC=C(C=C3)N4CCCC4)C(=O)C1)C |
Product Overview
A1172/0054466 (CAS 302785-69-9), with molecular formula C22H25N3O2 and molecular weight 363.19 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-4-(4-pyrrolidin-1-ylphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of A1172/0054466
Property Insights of A1172/0054466
The XLogP value of 3.73768 indicates that A1172/0054466 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.35 Ų falls within the moderate polarity range, balancing permeability and solubility for A1172/0054466. Following Lipinski's Rule of Five, A1172/0054466 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 A1172/0054466?
The CAS number of A1172/0054466 is 302785-69-9.
What is the molecular formula of A1172/0054466?
The molecular formula of A1172/0054466 is C22H25N3O2.
What is the molecular weight of A1172/0054466?
The molecular weight of A1172/0054466 is 363.19 g/mol.
Where can I buy A1172/0054466?
You can request a quote for A1172/0054466 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1172/0054466?
Yes, KEHONG BIO provides custom synthesis services for A1172/0054466 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.