ChemDiv1_006321
TL;DR: ChemDiv1_006321 (CAS 351164-98-2) is a chemical compound with molecular formula C24H21N3O6 and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
Also Known As: ChemDiv1_006321, 2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, 2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile
| Molecular Formula | C24H21N3O6 |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 3.82048 |
| Topological Polar Surface Area | 137.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.14304 |
| Heavy Atoms | 33 |
| Complexity | 1239.8362 |
Chemical Identifiers
| CAS Number | 351164-98-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC3=C(C(C(=C(O3)N)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C2)OC |
Product Overview
ChemDiv1_006321 (CAS 351164-98-2), with molecular formula C24H21N3O6 and molecular weight 447.14 g/mol. IUPAC: 2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-4,6,7,8-tetrahydrochromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_006321
Property Insights of ChemDiv1_006321
The XLogP value of 3.82048 indicates that ChemDiv1_006321 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_006321. Following Lipinski's Rule of Five, ChemDiv1_006321 has 1 hydrogen bond donor(s) and 8 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_006321?
The CAS number of ChemDiv1_006321 is 351164-98-2.
What is the molecular formula of ChemDiv1_006321?
The molecular formula of ChemDiv1_006321 is C24H21N3O6.
What is the molecular weight of ChemDiv1_006321?
The molecular weight of ChemDiv1_006321 is 447.14 g/mol.
Where can I buy ChemDiv1_006321?
You can request a quote for ChemDiv1_006321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006321?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.