BAS 02170216
TL;DR: BAS 02170216 (CAS 312698-27-4) is a chemical compound with molecular formula C22H28BrNO4S and molecular weight 481.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-propan-2-yloxyethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 02170216, A2439/0103379, 2-(propan-2-yloxy)ethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-isopropoxyethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-propan-2-yloxyethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C22H28BrNO4S |
|---|---|
| Molecular Weight | 481.09 g/mol |
| LogP | 5.0828 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.09225 |
| Heavy Atoms | 29 |
| Complexity | 881.12836 |
Chemical Identifiers
| CAS Number | 312698-27-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(S3)Br)C(=O)OCCOC(C)C |
Product Overview
BAS 02170216 (CAS 312698-27-4), with molecular formula C22H28BrNO4S and molecular weight 481.09 g/mol. IUPAC: 2-propan-2-yloxyethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 02170216
Property Insights of BAS 02170216
The XLogP value of 5.0828 indicates that BAS 02170216 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02170216. Following Lipinski's Rule of Five, BAS 02170216 has 1 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 02170216?
The CAS number of BAS 02170216 is 312698-27-4.
What is the molecular formula of BAS 02170216?
The molecular formula of BAS 02170216 is C22H28BrNO4S.
What is the molecular weight of BAS 02170216?
The molecular weight of BAS 02170216 is 481.09 g/mol.
Where can I buy BAS 02170216?
You can request a quote for BAS 02170216 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02170216?
Yes, KEHONG BIO provides custom synthesis services for BAS 02170216 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.