己二酸二甲酯
TL;DR: 己二酸二甲酯 (CAS 627-93-0) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己二酸二甲酯
dimethyl hexanedioate
Also Known As: Dimethyl adipate, Dimethyl hexanedioate, Dimethyladipate, Methyl adipate, Adipic acid dimethyl ester
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 135.0 |
| Melting Point | 8.0 °C |
| Boiling Point | 228.2 to 110.0 °C at 14 mmHg |
| Density | 1.063 |
| Solubility | Sol in alc, ether, acetic acid |
| Flash Point | 107.2 °C |
| Refractive Index | 1.4283 @ 20 °C |
Chemical Identifiers
| CAS Number | 627-93-0 |
|---|---|
| SMILES | COC(=O)CCCCC(=O)OC |
| InChIKey | UDSFAEKRVUSQDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己二酸二甲酯 (CAS 627-93-0), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: dimethyl hexanedioate.
Chemical Property Profile of 己二酸二甲酯
Property Insights of 己二酸二甲酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己二酸二甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 己二酸二甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 己二酸二甲酯 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 己二酸二甲酯?
The CAS number of 己二酸二甲酯 is 627-93-0.
What is the molecular formula of 己二酸二甲酯?
The molecular formula of 己二酸二甲酯 is C8H14O4.
What is the molecular weight of 己二酸二甲酯?
The molecular weight of 己二酸二甲酯 is 174.09 g/mol.
Where can I buy 己二酸二甲酯?
You can request a quote for 己二酸二甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己二酸二甲酯?
Yes, KEHONG BIO provides custom synthesis services for 己二酸二甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.