AT-057/41675253
TL;DR: AT-057/41675253 (CAS 1005160-93-9) is a chemical compound with molecular formula C23H30O8 and molecular weight 434.19 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-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AT-057/41675253, diisopropyl 4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate, diisopropyl 4-hydroxy-2-(4-(methoxycarbonyl)phenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, dipropan-2-yl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-BIS(PROPAN-2-YL) 4-HYDROXY-2-[4-(METHOXYCARBONYL)PHENYL]-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C23H30O8 |
|---|---|
| Molecular Weight | 434.19 g/mol |
| LogP | 2.4162 |
| Topological Polar Surface Area | 116.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.19406 |
| Heavy Atoms | 31 |
| Complexity | 829.6374 |
Chemical Identifiers
| CAS Number | 1005160-93-9 |
|---|---|
| SMILES | CC(C)OC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OC(C)C)C2=CC=C(C=C2)C(=O)OC |
Product Overview
AT-057/41675253 (CAS 1005160-93-9), with molecular formula C23H30O8 and molecular weight 434.19 g/mol. IUPAC: dipropan-2-yl 4-hydroxy-2-(4-methoxycarbonylphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AT-057/41675253
Property Insights of AT-057/41675253
The XLogP value of 2.4162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AT-057/41675253. The TPSA of 116.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AT-057/41675253. Following Lipinski's Rule of Five, AT-057/41675253 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-057/41675253?
The CAS number of AT-057/41675253 is 1005160-93-9.
What is the molecular formula of AT-057/41675253?
The molecular formula of AT-057/41675253 is C23H30O8.
What is the molecular weight of AT-057/41675253?
The molecular weight of AT-057/41675253 is 434.19 g/mol.
Where can I buy AT-057/41675253?
You can request a quote for AT-057/41675253 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AT-057/41675253?
Yes, KEHONG BIO provides custom synthesis services for AT-057/41675253 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.