BAS 01296559
TL;DR: BAS 01296559 (CAS 472981-75-2) is a chemical compound with molecular formula C21H27ClO6 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 01296559, BIM-0012361.P001, dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, diisopropyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diisopropyl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C21H27ClO6 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 3.283 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.14963 |
| Heavy Atoms | 28 |
| Complexity | 729.76764 |
Chemical Identifiers
| CAS Number | 472981-75-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)Cl |
Product Overview
BAS 01296559 (CAS 472981-75-2), with molecular formula C21H27ClO6 and molecular weight 410.15 g/mol. IUPAC: dipropan-2-yl 2-(4-chlorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 01296559
Property Insights of BAS 01296559
The XLogP value of 3.283 indicates that BAS 01296559 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01296559. Following Lipinski's Rule of Five, BAS 01296559 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 01296559?
The CAS number of BAS 01296559 is 472981-75-2.
What is the molecular formula of BAS 01296559?
The molecular formula of BAS 01296559 is C21H27ClO6.
What is the molecular weight of BAS 01296559?
The molecular weight of BAS 01296559 is 410.15 g/mol.
Where can I buy BAS 01296559?
You can request a quote for BAS 01296559 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01296559?
Yes, KEHONG BIO provides custom synthesis services for BAS 01296559 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.