A1145/0053542
TL;DR: A1145/0053542 (CAS 311330-83-3) is a chemical compound with molecular formula C23H18ClN3O3 and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
Also Known As: A1145/0053542, 2-Amino-4-(benzo[d][1,3]dioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C23H18ClN3O3 |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 4.37348 |
| Topological Polar Surface Area | 88.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 419.10367 |
| Heavy Atoms | 30 |
| Complexity | 1161.206 |
Chemical Identifiers
| CAS Number | 311330-83-3 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2C3=CC=C(C=C3)Cl)N)C#N)C4=CC5=C(C=C4)OCO5)C(=O)C1 |
Product Overview
A1145/0053542 (CAS 311330-83-3), with molecular formula C23H18ClN3O3 and molecular weight 419.10 g/mol. IUPAC: 2-amino-4-(1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-5-oxo-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of A1145/0053542
Property Insights of A1145/0053542
The XLogP value of 4.37348 indicates that A1145/0053542 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 A1145/0053542. Following Lipinski's Rule of Five, A1145/0053542 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 A1145/0053542?
The CAS number of A1145/0053542 is 311330-83-3.
What is the molecular formula of A1145/0053542?
The molecular formula of A1145/0053542 is C23H18ClN3O3.
What is the molecular weight of A1145/0053542?
The molecular weight of A1145/0053542 is 419.10 g/mol.
Where can I buy A1145/0053542?
You can request a quote for A1145/0053542 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1145/0053542?
Yes, KEHONG BIO provides custom synthesis services for A1145/0053542 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.