3-氧代己二酸-1,6-二甲酯
TL;DR: 3-氧代己二酸-1,6-二甲酯 (CAS 5457-44-3) is a chemical compound with molecular formula C8H12O5 and molecular weight 188.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代己二酸-1,6-二甲酯
dimethyl 3-oxohexanedioate
Also Known As: Dimethyl 3-oxoadipate, Dimethyl 3-oxohexanedioate, Dimethyl, A-ketoadipate, 1,6-dimethyl 3-oxohexanedioate
| Molecular Formula | C8H12O5 |
|---|---|
| Molecular Weight | 188.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.06847 |
| Heavy Atoms | 13 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5457-44-3 |
|---|---|
| SMILES | COC(=O)CCC(=O)CC(=O)OC |
| InChIKey | CMGTZMRSJJKAPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代己二酸-1,6-二甲酯 (CAS 5457-44-3), with molecular formula C8H12O5 and molecular weight 188.07 g/mol. IUPAC: dimethyl 3-oxohexanedioate.
Chemical Property Profile of 3-氧代己二酸-1,6-二甲酯
Property Insights of 3-氧代己二酸-1,6-二甲酯
The XLogP value of -0.3 indicates that 3-氧代己二酸-1,6-二甲酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氧代己二酸-1,6-二甲酯. Following Lipinski's Rule of Five, 3-氧代己二酸-1,6-二甲酯 has 0 hydrogen bond donor(s) and 5 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 3-氧代己二酸-1,6-二甲酯?
The CAS number of 3-氧代己二酸-1,6-二甲酯 is 5457-44-3.
What is the molecular formula of 3-氧代己二酸-1,6-二甲酯?
The molecular formula of 3-氧代己二酸-1,6-二甲酯 is C8H12O5.
What is the molecular weight of 3-氧代己二酸-1,6-二甲酯?
The molecular weight of 3-氧代己二酸-1,6-二甲酯 is 188.07 g/mol.
Where can I buy 3-氧代己二酸-1,6-二甲酯?
You can request a quote for 3-氧代己二酸-1,6-二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代己二酸-1,6-二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代己二酸-1,6-二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.