α-甲基异柠檬酸
TL;DR: α-甲基异柠檬酸 (CAS 6061-95-6) is a chemical compound with molecular formula C7H10O7 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α-甲基异柠檬酸
3-hydroxybutane-1,2,3-tricarboxylic acid
Also Known As: d.l-methylisocitrate, alpha-Methylisocitrate, Methylisocitric acid, alpha-methylisocitric acid, threo-alpha-Methylisocitrate
| Molecular Formula | C7H10O7 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.04265 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 6061-95-6 |
|---|---|
| SMILES | CC(C(CC(=O)O)C(=O)O)(C(=O)O)O |
| InChIKey | HHKPKXCSHMJWCF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α-甲基异柠檬酸 (CAS 6061-95-6), with molecular formula C7H10O7 and molecular weight 206.04 g/mol. IUPAC: 3-hydroxybutane-1,2,3-tricarboxylic acid.
Chemical Property Profile of α-甲基异柠檬酸
Property Insights of α-甲基异柠檬酸
The XLogP value of -1.6 indicates that α-甲基异柠檬酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for α-甲基异柠檬酸. Following Lipinski's Rule of Five, α-甲基异柠檬酸 has 4 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 α-甲基异柠檬酸?
The CAS number of α-甲基异柠檬酸 is 6061-95-6.
What is the molecular formula of α-甲基异柠檬酸?
The molecular formula of α-甲基异柠檬酸 is C7H10O7.
What is the molecular weight of α-甲基异柠檬酸?
The molecular weight of α-甲基异柠檬酸 is 206.04 g/mol.
Where can I buy α-甲基异柠檬酸?
You can request a quote for α-甲基异柠檬酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α-甲基异柠檬酸?
Yes, KEHONG BIO provides custom synthesis services for α-甲基异柠檬酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.