BENZENEPROPANOIC ACID, B-PROPYL-
TL;DR: BENZENEPROPANOIC ACID, B-PROPYL- (CAS 353472-06-7) is a chemical compound with molecular formula C26H24N2O4S and molecular weight 460.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BENZENEPROPANOIC ACID, B-PROPYL-, ethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-({[2-(5-methyl-2-furyl)-4-quinolinyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ETHYL 2-({[2-(5-METHYL-2-FURYL)-4-QUINOLYL]CARBONYL}AMINO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, ethyl 2-({[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H24N2O4S |
|---|---|
| Molecular Weight | 460.15 g/mol |
| LogP | 6.17252 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 460.1457 |
| Heavy Atoms | 33 |
| Complexity | 1368.1345 |
Chemical Identifiers
| CAS Number | 353472-06-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=C(O5)C |
Product Overview
BENZENEPROPANOIC ACID, B-PROPYL- (CAS 353472-06-7), with molecular formula C26H24N2O4S and molecular weight 460.15 g/mol. IUPAC: ethyl 2-[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BENZENEPROPANOIC ACID, B-PROPYL-
Property Insights of BENZENEPROPANOIC ACID, B-PROPYL-
The XLogP value of 6.17252 indicates that BENZENEPROPANOIC ACID, B-PROPYL- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BENZENEPROPANOIC ACID, B-PROPYL-. Following Lipinski's Rule of Five, BENZENEPROPANOIC ACID, B-PROPYL- 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 BENZENEPROPANOIC ACID, B-PROPYL-?
The CAS number of BENZENEPROPANOIC ACID, B-PROPYL- is 353472-06-7.
What is the molecular formula of BENZENEPROPANOIC ACID, B-PROPYL-?
The molecular formula of BENZENEPROPANOIC ACID, B-PROPYL- is C26H24N2O4S.
What is the molecular weight of BENZENEPROPANOIC ACID, B-PROPYL-?
The molecular weight of BENZENEPROPANOIC ACID, B-PROPYL- is 460.15 g/mol.
Where can I buy BENZENEPROPANOIC ACID, B-PROPYL-?
You can request a quote for BENZENEPROPANOIC ACID, B-PROPYL- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BENZENEPROPANOIC ACID, B-PROPYL-?
Yes, KEHONG BIO provides custom synthesis services for BENZENEPROPANOIC ACID, B-PROPYL- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.