BAS 01404338
TL;DR: BAS 01404338 (CAS 330952-34-6) is a chemical compound with molecular formula C20H22BrNO4S and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxolan-2-ylmethyl 4-(5-bromothiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01404338, (Tetrahydro-2-furanyl)methyl 4-(5-bromo-2-thienyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-3-quinolinecarboxylate, oxolan-2-ylmethyl 4-(5-bromothiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, tetrahydrofuran-2-ylmethyl 4-(5-bromothiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, oxolan-2-ylmethyl 4-(5-bromo(2-thienyl))-2-methyl-5-oxo-1,4,6,7,8-pentahydroqu inoline-3-carboxylate
| Molecular Formula | C20H22BrNO4S |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.2007 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.0453 |
| Heavy Atoms | 27 |
| Complexity | 834.7897 |
Chemical Identifiers
| CAS Number | 330952-34-6 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(S3)Br)C(=O)OCC4CCCO4 |
Product Overview
BAS 01404338 (CAS 330952-34-6), with molecular formula C20H22BrNO4S and molecular weight 451.05 g/mol. IUPAC: oxolan-2-ylmethyl 4-(5-bromothiophen-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01404338
Property Insights of BAS 01404338
The XLogP value of 4.2007 indicates that BAS 01404338 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 01404338. Following Lipinski's Rule of Five, BAS 01404338 has 1 hydrogen bond donor(s) and 6 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 01404338?
The CAS number of BAS 01404338 is 330952-34-6.
What is the molecular formula of BAS 01404338?
The molecular formula of BAS 01404338 is C20H22BrNO4S.
What is the molecular weight of BAS 01404338?
The molecular weight of BAS 01404338 is 451.05 g/mol.
Where can I buy BAS 01404338?
You can request a quote for BAS 01404338 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01404338?
Yes, KEHONG BIO provides custom synthesis services for BAS 01404338 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.