BAS 01039242
TL;DR: BAS 01039242 (CAS 295344-26-2) 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-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 01039242, benzyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, phenylmethyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, Benzyl 4-(3-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 | 295344-26-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)I)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 01039242 (CAS 295344-26-2), with molecular formula C26H26INO3 and molecular weight 527.10 g/mol. IUPAC: benzyl 4-(3-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 01039242
Property Insights of BAS 01039242
The XLogP value of 5.6386 indicates that BAS 01039242 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 01039242 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01039242 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 01039242?
The CAS number of BAS 01039242 is 295344-26-2.
What is the molecular formula of BAS 01039242?
The molecular formula of BAS 01039242 is C26H26INO3.
What is the molecular weight of BAS 01039242?
The molecular weight of BAS 01039242 is 527.10 g/mol.
Where can I buy BAS 01039242?
You can request a quote for BAS 01039242 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01039242?
Yes, KEHONG BIO provides custom synthesis services for BAS 01039242 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.