ChemDiv1_010562
TL;DR: ChemDiv1_010562 (CAS 300705-25-3) is a chemical compound with molecular formula C25H24N2O3 and molecular weight 400.18 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-(3-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: ChemDiv1_010562, BAS 01375487, 2-amino-4-[3-(benzyloxy)phenyl]-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, A0368/0016995, 2-amino-4-(3-(benzyloxy)phenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
| Molecular Formula | C25H24N2O3 |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.71648 |
| Topological Polar Surface Area | 85.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.17868 |
| Heavy Atoms | 30 |
| Complexity | 1090.8768 |
Chemical Identifiers
| CAS Number | 300705-25-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)C1)C |
Product Overview
ChemDiv1_010562 (CAS 300705-25-3), with molecular formula C25H24N2O3 and molecular weight 400.18 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-4-(3-phenylmethoxyphenyl)-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_010562
Property Insights of ChemDiv1_010562
The XLogP value of 4.71648 indicates that ChemDiv1_010562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010562. Following Lipinski's Rule of Five, ChemDiv1_010562 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_010562?
The CAS number of ChemDiv1_010562 is 300705-25-3.
What is the molecular formula of ChemDiv1_010562?
The molecular formula of ChemDiv1_010562 is C25H24N2O3.
What is the molecular weight of ChemDiv1_010562?
The molecular weight of ChemDiv1_010562 is 400.18 g/mol.
Where can I buy ChemDiv1_010562?
You can request a quote for ChemDiv1_010562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010562?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.