BAS 00120942
TL;DR: BAS 00120942 (CAS 295344-64-8) is a chemical compound with molecular formula C26H26INO3 and molecular weight 527.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00120942, benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, AB00667121-01, benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C26H26INO3 |
|---|---|
| Molecular Weight | 527.10 g/mol |
| LogP | 5.6386 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 527.09576 |
| Heavy Atoms | 31 |
| Complexity | 1098.645 |
Chemical Identifiers
| CAS Number | 295344-64-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CC=C3I)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 00120942 (CAS 295344-64-8), with molecular formula C26H26INO3 and molecular weight 527.10 g/mol. IUPAC: benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00120942
Property Insights of BAS 00120942
The XLogP value of 5.6386 indicates that BAS 00120942 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, BAS 00120942 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00120942 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 BAS 00120942?
The CAS number of BAS 00120942 is 295344-64-8.
What is the molecular formula of BAS 00120942?
The molecular formula of BAS 00120942 is C26H26INO3.
What is the molecular weight of BAS 00120942?
The molecular weight of BAS 00120942 is 527.10 g/mol.
Where can I buy BAS 00120942?
You can request a quote for BAS 00120942 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00120942?
Yes, KEHONG BIO provides custom synthesis services for BAS 00120942 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.