AT-057/13384634
TL;DR: AT-057/13384634 (CAS 459147-65-0) 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-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AT-057/13384634, di-tert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate, ditert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate, di(tert-butyl) 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxo-1,3-cyclohexanedicarboxylate, 1,3-DI-TERT-BUTYL 4-HYDROXY-4-METHYL-2-(3-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 | 922.6595 |
Chemical Identifiers
| CAS Number | 459147-65-0 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)(C)C)O |
Product Overview
AT-057/13384634 (CAS 459147-65-0), with molecular formula C23H31NO8 and molecular weight 449.20 g/mol. IUPAC: ditert-butyl 4-hydroxy-4-methyl-2-(3-nitrophenyl)-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AT-057/13384634
Property Insights of AT-057/13384634
The XLogP value of 3.318 indicates that AT-057/13384634 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 AT-057/13384634. Following Lipinski's Rule of Five, AT-057/13384634 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 AT-057/13384634?
The CAS number of AT-057/13384634 is 459147-65-0.
What is the molecular formula of AT-057/13384634?
The molecular formula of AT-057/13384634 is C23H31NO8.
What is the molecular weight of AT-057/13384634?
The molecular weight of AT-057/13384634 is 449.20 g/mol.
Where can I buy AT-057/13384634?
You can request a quote for AT-057/13384634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/13384634?
Yes, KEHONG BIO provides custom synthesis services for AT-057/13384634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.