BAS 01296558
TL;DR: BAS 01296558 (CAS 472981-86-5) is a chemical compound with molecular formula C22H30O7 and molecular weight 406.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 01296558, BIM-0012182.P001, dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 4-Hydroxy-2-(4-methoxy-phenyl)-4-methyl-6-oxo-cyclohexane-1,3-dicarboxylic acid, diisopropyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate
| Molecular Formula | C22H30O7 |
|---|---|
| Molecular Weight | 406.20 g/mol |
| LogP | 2.6382 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.19916 |
| Heavy Atoms | 29 |
| Complexity | 740.9292 |
Chemical Identifiers
| CAS Number | 472981-86-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)OC |
Product Overview
BAS 01296558 (CAS 472981-86-5), with molecular formula C22H30O7 and molecular weight 406.20 g/mol. IUPAC: dipropan-2-yl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 01296558
Property Insights of BAS 01296558
The XLogP value of 2.6382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01296558. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01296558. Following Lipinski's Rule of Five, BAS 01296558 has 1 hydrogen bond donor(s) and 7 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 01296558?
The CAS number of BAS 01296558 is 472981-86-5.
What is the molecular formula of BAS 01296558?
The molecular formula of BAS 01296558 is C22H30O7.
What is the molecular weight of BAS 01296558?
The molecular weight of BAS 01296558 is 406.20 g/mol.
Where can I buy BAS 01296558?
You can request a quote for BAS 01296558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01296558?
Yes, KEHONG BIO provides custom synthesis services for BAS 01296558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.