A2554/0108776
TL;DR: A2554/0108776 (CAS 347317-90-2) is a chemical compound with molecular formula C27H28FNO3 and molecular weight 433.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A2554/0108776, 2-phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroqui noline-3-carboxylate, 2-PHENYLETHYL 4-(3-FLUOROPHENYL)-2,7,7-TRIMETHYL-5-OXO-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C27H28FNO3 |
|---|---|
| Molecular Weight | 433.21 g/mol |
| LogP | 5.2156 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 433.20532 |
| Heavy Atoms | 32 |
| Complexity | 1114.7312 |
Chemical Identifiers
| CAS Number | 347317-90-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)F)C(=O)OCCC4=CC=CC=C4 |
Product Overview
A2554/0108776 (CAS 347317-90-2), with molecular formula C27H28FNO3 and molecular weight 433.21 g/mol. IUPAC: 2-phenylethyl 4-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A2554/0108776
Property Insights of A2554/0108776
The XLogP value of 5.2156 indicates that A2554/0108776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A2554/0108776 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A2554/0108776 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 A2554/0108776?
The CAS number of A2554/0108776 is 347317-90-2.
What is the molecular formula of A2554/0108776?
The molecular formula of A2554/0108776 is C27H28FNO3.
What is the molecular weight of A2554/0108776?
The molecular weight of A2554/0108776 is 433.21 g/mol.
Where can I buy A2554/0108776?
You can request a quote for A2554/0108776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2554/0108776?
Yes, KEHONG BIO provides custom synthesis services for A2554/0108776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.