BAS 00453525
TL;DR: BAS 00453525 (CAS 328014-72-8) is a chemical compound with molecular formula C19H22BrNO3S and molecular weight 423.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00453525, A0610/0028223, ethyl 4-(4-bromo(2-thienyl))-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydroquinoli ne-3-carboxylate, ethyl 4-(4-bromo-2-thienyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C19H22BrNO3S |
|---|---|
| Molecular Weight | 423.05 g/mol |
| LogP | 4.6777 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.05038 |
| Heavy Atoms | 25 |
| Complexity | 803.3461 |
Chemical Identifiers
| CAS Number | 328014-72-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=CS3)Br)C(=O)CC(C2)(C)C)C |
Product Overview
BAS 00453525 (CAS 328014-72-8), with molecular formula C19H22BrNO3S and molecular weight 423.05 g/mol. IUPAC: ethyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00453525
Property Insights of BAS 00453525
The XLogP value of 4.6777 indicates that BAS 00453525 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 00453525 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00453525 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00453525?
The CAS number of BAS 00453525 is 328014-72-8.
What is the molecular formula of BAS 00453525?
The molecular formula of BAS 00453525 is C19H22BrNO3S.
What is the molecular weight of BAS 00453525?
The molecular weight of BAS 00453525 is 423.05 g/mol.
Where can I buy BAS 00453525?
You can request a quote for BAS 00453525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00453525?
Yes, KEHONG BIO provides custom synthesis services for BAS 00453525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.