BAS 01157140
TL;DR: BAS 01157140 (CAS 500002-64-2) is a chemical compound with molecular formula C23H31NO8 and molecular weight 449.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: BAS 01157140, AT-057/13023307, ditert-butyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate, di(tert-butyl) 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxo-1,3-cyclohexanedicarboxylate, di-tert-butyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
| Molecular Formula | C23H31NO8 |
|---|---|
| Molecular Weight | 449.20 g/mol |
| LogP | 3.318 |
| Topological Polar Surface Area | 133.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.20496 |
| Heavy Atoms | 32 |
| Complexity | 905.4095 |
Chemical Identifiers
| CAS Number | 500002-64-2 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)O |
Product Overview
BAS 01157140 (CAS 500002-64-2), with molecular formula C23H31NO8 and molecular weight 449.20 g/mol. IUPAC: ditert-butyl 4-hydroxy-4-methyl-2-(4-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of BAS 01157140
Property Insights of BAS 01157140
The XLogP value of 3.318 indicates that BAS 01157140 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01157140. Following Lipinski's Rule of Five, BAS 01157140 has 1 hydrogen bond donor(s) and 8 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 01157140?
The CAS number of BAS 01157140 is 500002-64-2.
What is the molecular formula of BAS 01157140?
The molecular formula of BAS 01157140 is C23H31NO8.
What is the molecular weight of BAS 01157140?
The molecular weight of BAS 01157140 is 449.20 g/mol.
Where can I buy BAS 01157140?
You can request a quote for BAS 01157140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01157140?
Yes, KEHONG BIO provides custom synthesis services for BAS 01157140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.