BAS 01296563
TL;DR: BAS 01296563 (CAS 472981-63-8) is a chemical compound with molecular formula C21H27FO6 and molecular weight 394.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 01296563, dipropan-2-yl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisopropyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diisopropyl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-BIS(PROPAN-2-YL) 2-(4-FLUOROPHENYL)-4-HYDROXY-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C21H27FO6 |
|---|---|
| Molecular Weight | 394.18 g/mol |
| LogP | 2.7687 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 394.17917 |
| Heavy Atoms | 28 |
| Complexity | 729.76764 |
Chemical Identifiers
| CAS Number | 472981-63-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)F |
Product Overview
BAS 01296563 (CAS 472981-63-8), with molecular formula C21H27FO6 and molecular weight 394.18 g/mol. IUPAC: dipropan-2-yl 2-(4-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 01296563
Property Insights of BAS 01296563
The XLogP value of 2.7687 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01296563. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01296563. Following Lipinski's Rule of Five, BAS 01296563 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 01296563?
The CAS number of BAS 01296563 is 472981-63-8.
What is the molecular formula of BAS 01296563?
The molecular formula of BAS 01296563 is C21H27FO6.
What is the molecular weight of BAS 01296563?
The molecular weight of BAS 01296563 is 394.18 g/mol.
Where can I buy BAS 01296563?
You can request a quote for BAS 01296563 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01296563?
Yes, KEHONG BIO provides custom synthesis services for BAS 01296563 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.