BAS 00915978
TL;DR: BAS 00915978 (CAS 330674-49-2) is a chemical compound with molecular formula C31H28BrNO3 and molecular weight 541.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00915978, 2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,6,7,8-pentahydroqu inoline-3-carboxylate, phenethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, phenethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
| Molecular Formula | C31H28BrNO3 |
|---|---|
| Molecular Weight | 541.13 g/mol |
| LogP | 6.5966 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 541.12524 |
| Heavy Atoms | 36 |
| Complexity | 1327.2532 |
Chemical Identifiers
| CAS Number | 330674-49-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Br)C(=O)OCCC5=CC=CC=C5 |
Product Overview
BAS 00915978 (CAS 330674-49-2), with molecular formula C31H28BrNO3 and molecular weight 541.13 g/mol. IUPAC: 2-phenylethyl 4-(4-bromophenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00915978
Property Insights of BAS 00915978
The XLogP value of 6.5966 indicates that BAS 00915978 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 00915978 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00915978 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 00915978?
The CAS number of BAS 00915978 is 330674-49-2.
What is the molecular formula of BAS 00915978?
The molecular formula of BAS 00915978 is C31H28BrNO3.
What is the molecular weight of BAS 00915978?
The molecular weight of BAS 00915978 is 541.13 g/mol.
Where can I buy BAS 00915978?
You can request a quote for BAS 00915978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915978?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.