BAS 00411199
TL;DR: BAS 00411199 (CAS 4221-47-0) is a chemical compound with molecular formula C22H26BrNO3 and molecular weight 431.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00411199, propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methylethyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinol ine-3-carboxylate
| Molecular Formula | C22H26BrNO3 |
|---|---|
| Molecular Weight | 431.11 g/mol |
| LogP | 5.0047 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.10962 |
| Heavy Atoms | 27 |
| Complexity | 864.0638 |
Chemical Identifiers
| CAS Number | 4221-47-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)Br)C(=O)OC(C)C |
Product Overview
BAS 00411199 (CAS 4221-47-0), with molecular formula C22H26BrNO3 and molecular weight 431.11 g/mol. IUPAC: propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00411199
Property Insights of BAS 00411199
The XLogP value of 5.0047 indicates that BAS 00411199 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 00411199 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00411199 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 00411199?
The CAS number of BAS 00411199 is 4221-47-0.
What is the molecular formula of BAS 00411199?
The molecular formula of BAS 00411199 is C22H26BrNO3.
What is the molecular weight of BAS 00411199?
The molecular weight of BAS 00411199 is 431.11 g/mol.
Where can I buy BAS 00411199?
You can request a quote for BAS 00411199 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411199?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411199 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.