A2379/0100622
TL;DR: A2379/0100622 (CAS 347352-23-2) is a chemical compound with molecular formula C23H28BrNO3 and molecular weight 445.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2379/0100622, butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, sec-butyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, sec-butyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H28BrNO3 |
|---|---|
| Molecular Weight | 445.13 g/mol |
| LogP | 5.3948 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.12527 |
| Heavy Atoms | 28 |
| Complexity | 881.58856 |
Chemical Identifiers
| CAS Number | 347352-23-2 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3Br)C(=O)CC(C2)(C)C)C |
Product Overview
A2379/0100622 (CAS 347352-23-2), with molecular formula C23H28BrNO3 and molecular weight 445.13 g/mol. IUPAC: butan-2-yl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2379/0100622
Property Insights of A2379/0100622
The XLogP value of 5.3948 indicates that A2379/0100622 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2379/0100622 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2379/0100622 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A2379/0100622?
The CAS number of A2379/0100622 is 347352-23-2.
What is the molecular formula of A2379/0100622?
The molecular formula of A2379/0100622 is C23H28BrNO3.
What is the molecular weight of A2379/0100622?
The molecular weight of A2379/0100622 is 445.13 g/mol.
Where can I buy A2379/0100622?
You can request a quote for A2379/0100622 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2379/0100622?
Yes, KEHONG BIO provides custom synthesis services for A2379/0100622 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.