Adipic acid, 3-methoxy-
TL;DR: Adipic acid, 3-methoxy- (CAS 98962-99-3) is a chemical compound with molecular formula C7H12O5 and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxyhexanedioic acid
Also Known As: 3-methoxyadipic acid, 3-methoxyhexanedioic acid, Adipic acid, 3-methoxy-, Hexanedioic acid, 3-methoxy
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 98962-99-3 |
|---|---|
| SMILES | COC(CCC(=O)O)CC(=O)O |
| InChIKey | TURPUAICQCJDTN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Adipic acid, 3-methoxy- (CAS 98962-99-3), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: 3-methoxyhexanedioic acid.
Chemical Property Profile of Adipic acid, 3-methoxy-
Property Insights of Adipic acid, 3-methoxy-
The XLogP value of -0.5 indicates that Adipic acid, 3-methoxy- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Adipic acid, 3-methoxy-. Following Lipinski's Rule of Five, Adipic acid, 3-methoxy- has 2 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 Adipic acid, 3-methoxy-?
The CAS number of Adipic acid, 3-methoxy- is 98962-99-3.
What is the molecular formula of Adipic acid, 3-methoxy-?
The molecular formula of Adipic acid, 3-methoxy- is C7H12O5.
What is the molecular weight of Adipic acid, 3-methoxy-?
The molecular weight of Adipic acid, 3-methoxy- is 176.07 g/mol.
Where can I buy Adipic acid, 3-methoxy-?
You can request a quote for Adipic acid, 3-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Adipic acid, 3-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for Adipic acid, 3-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.