ChemDiv1_011073
TL;DR: ChemDiv1_011073 (CAS 339336-48-0) is a chemical compound with molecular formula C27H29N3O4 and molecular weight 459.22 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-1-phenyl-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: ChemDiv1_011073, 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1351/0061007, 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C27H29N3O4 |
|---|---|
| Molecular Weight | 459.22 g/mol |
| LogP | 4.65328 |
| Topological Polar Surface Area | 97.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.21582 |
| Heavy Atoms | 34 |
| Complexity | 1213.2617 |
Chemical Identifiers
| CAS Number | 339336-48-0 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2C3=CC=CC=C3)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C |
Product Overview
ChemDiv1_011073 (CAS 339336-48-0), with molecular formula C27H29N3O4 and molecular weight 459.22 g/mol. IUPAC: 2-amino-7,7-dimethyl-5-oxo-1-phenyl-4-(3,4,5-trimethoxyphenyl)-6,8-dihydro-4H-quinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011073
Property Insights of ChemDiv1_011073
The XLogP value of 4.65328 indicates that ChemDiv1_011073 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011073. Following Lipinski's Rule of Five, ChemDiv1_011073 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 ChemDiv1_011073?
The CAS number of ChemDiv1_011073 is 339336-48-0.
What is the molecular formula of ChemDiv1_011073?
The molecular formula of ChemDiv1_011073 is C27H29N3O4.
What is the molecular weight of ChemDiv1_011073?
The molecular weight of ChemDiv1_011073 is 459.22 g/mol.
Where can I buy ChemDiv1_011073?
You can request a quote for ChemDiv1_011073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011073?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.