BAS 01051894
TL;DR: BAS 01051894 (CAS 329072-22-2) is a chemical compound with molecular formula C28H29NO5 and molecular weight 459.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01051894, 2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, 2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, isobutyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, 2-METHYLPROPYL 4-(2H-1,3-BENZODIOXOL-5-YL)-2-METHYL-5-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROQUINOLINE-3-CARBOXYLATE
| Molecular Formula | C28H29NO5 |
|---|---|
| Molecular Weight | 459.20 g/mol |
| LogP | 4.9761 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.20456 |
| Heavy Atoms | 34 |
| Complexity | 1194.5321 |
Chemical Identifiers
| CAS Number | 329072-22-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OCC(C)C |
Product Overview
BAS 01051894 (CAS 329072-22-2), with molecular formula C28H29NO5 and molecular weight 459.20 g/mol. IUPAC: 2-methylpropyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01051894
Property Insights of BAS 01051894
The XLogP value of 4.9761 indicates that BAS 01051894 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01051894. Following Lipinski's Rule of Five, BAS 01051894 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 01051894?
The CAS number of BAS 01051894 is 329072-22-2.
What is the molecular formula of BAS 01051894?
The molecular formula of BAS 01051894 is C28H29NO5.
What is the molecular weight of BAS 01051894?
The molecular weight of BAS 01051894 is 459.20 g/mol.
Where can I buy BAS 01051894?
You can request a quote for BAS 01051894 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01051894?
Yes, KEHONG BIO provides custom synthesis services for BAS 01051894 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.