ChemDiv1_011090
TL;DR: ChemDiv1_011090 (CAS 311334-30-2) is a chemical compound with molecular formula C24H22BrN3O3 and molecular weight 479.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: ChemDiv1_011090, Salor-int l222380-1ea, 2-amino-1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, A1178/0054637, 2-amino-1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
| Molecular Formula | C24H22BrN3O3 |
|---|---|
| Molecular Weight | 479.08 g/mol |
| LogP | 4.77108 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.08444 |
| Heavy Atoms | 31 |
| Complexity | 1145.6498 |
Chemical Identifiers
| CAS Number | 311334-30-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2C(=C(N(C3=C2C(=O)CCC3)C4=CC=C(C=C4)Br)N)C#N)OC |
Product Overview
ChemDiv1_011090 (CAS 311334-30-2), with molecular formula C24H22BrN3O3 and molecular weight 479.08 g/mol. IUPAC: 2-amino-1-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of ChemDiv1_011090
Property Insights of ChemDiv1_011090
The XLogP value of 4.77108 indicates that ChemDiv1_011090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.58 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_011090. Following Lipinski's Rule of Five, ChemDiv1_011090 has 1 hydrogen bond donor(s) and 6 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_011090?
The CAS number of ChemDiv1_011090 is 311334-30-2.
What is the molecular formula of ChemDiv1_011090?
The molecular formula of ChemDiv1_011090 is C24H22BrN3O3.
What is the molecular weight of ChemDiv1_011090?
The molecular weight of ChemDiv1_011090 is 479.08 g/mol.
Where can I buy ChemDiv1_011090?
You can request a quote for ChemDiv1_011090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_011090?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_011090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.