BAS 00915346
TL;DR: BAS 00915346 (CAS 313244-91-6) is a chemical compound with molecular formula C28H30BrNO5 and molecular weight 539.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00915346, F0452-3175, benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C28H30BrNO5 |
|---|---|
| Molecular Weight | 539.13 g/mol |
| LogP | 5.9008 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 539.13074 |
| Heavy Atoms | 35 |
| Complexity | 1229.4088 |
Chemical Identifiers
| CAS Number | 313244-91-6 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC4=CC=CC=C4)C)Br)O |
Product Overview
BAS 00915346 (CAS 313244-91-6), with molecular formula C28H30BrNO5 and molecular weight 539.13 g/mol. IUPAC: benzyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00915346
Property Insights of BAS 00915346
The XLogP value of 5.9008 indicates that BAS 00915346 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915346. Following Lipinski's Rule of Five, BAS 00915346 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00915346?
The CAS number of BAS 00915346 is 313244-91-6.
What is the molecular formula of BAS 00915346?
The molecular formula of BAS 00915346 is C28H30BrNO5.
What is the molecular weight of BAS 00915346?
The molecular weight of BAS 00915346 is 539.13 g/mol.
Where can I buy BAS 00915346?
You can request a quote for BAS 00915346 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915346?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915346 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.