AE-562/12222060
TL;DR: AE-562/12222060 (CAS 1217-12-5) is a chemical compound with molecular formula C14H18O4 and molecular weight 250.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate
Also Known As: dimethyl 3,4,5,6-tetramethylphthalate, Tetramethylphthalic acid dimethyl ester, dimethyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate, AE-562/12222060, J1.700.162K
| Molecular Formula | C14H18O4 |
|---|---|
| Molecular Weight | 250.12 g/mol |
| LogP | 2.49348 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.12051 |
| Heavy Atoms | 18 |
| Complexity | 468.26065 |
Chemical Identifiers
| CAS Number | 1217-12-5 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1C)C(=O)OC)C(=O)OC)C)C |
Product Overview
AE-562/12222060 (CAS 1217-12-5), with molecular formula C14H18O4 and molecular weight 250.12 g/mol. IUPAC: dimethyl 3,4,5,6-tetramethylbenzene-1,2-dicarboxylate.
Chemical Property Profile of AE-562/12222060
Property Insights of AE-562/12222060
The XLogP value of 2.49348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-562/12222060. With a topological polar surface area (TPSA) of 52.6 Ų, AE-562/12222060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-562/12222060 has 0 hydrogen bond donor(s) and 4 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 AE-562/12222060?
The CAS number of AE-562/12222060 is 1217-12-5.
What is the molecular formula of AE-562/12222060?
The molecular formula of AE-562/12222060 is C14H18O4.
What is the molecular weight of AE-562/12222060?
The molecular weight of AE-562/12222060 is 250.12 g/mol.
Where can I buy AE-562/12222060?
You can request a quote for AE-562/12222060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-562/12222060?
Yes, KEHONG BIO provides custom synthesis services for AE-562/12222060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.