AB00097029-01
TL;DR: AB00097029-01 (CAS 142592-11-8) is a chemical compound with molecular formula C18H22O7 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
Also Known As: AB00097029-01, AB00097029-03, dimethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate, 1,3-DIMETHYL 4-HYDROXY-2-(4-METHOXYPHENYL)-4-METHYL-6-OXOCYCLOHEXANE-1,3-DICARBOXYLATE
| Molecular Formula | C18H22O7 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 1.081 |
| Topological Polar Surface Area | 99.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.13657 |
| Heavy Atoms | 25 |
| Complexity | 662.5071 |
Chemical Identifiers
| CAS Number | 142592-11-8 |
|---|---|
| SMILES | CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)OC)C(=O)OC)O |
Product Overview
AB00097029-01 (CAS 142592-11-8), with molecular formula C18H22O7 and molecular weight 350.14 g/mol. IUPAC: dimethyl 4-hydroxy-2-(4-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate.
Chemical Property Profile of AB00097029-01
Property Insights of AB00097029-01
The XLogP value of 1.081 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00097029-01. The TPSA of 99.13 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00097029-01. Following Lipinski's Rule of Five, AB00097029-01 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 AB00097029-01?
The CAS number of AB00097029-01 is 142592-11-8.
What is the molecular formula of AB00097029-01?
The molecular formula of AB00097029-01 is C18H22O7.
What is the molecular weight of AB00097029-01?
The molecular weight of AB00097029-01 is 350.14 g/mol.
Where can I buy AB00097029-01?
You can request a quote for AB00097029-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00097029-01?
Yes, KEHONG BIO provides custom synthesis services for AB00097029-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.