3-丙基苹果酸
TL;DR: 3-丙基苹果酸 (CAS 20846-59-7) 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-丙基苹果酸
2-hydroxy-3-propylbutanedioic acid
Also Known As: 3-propylmalic acid, 2-hydroxy-3-propylbutanedioic acid, starbld0001235, 2-Hydroxy-3-propylsuccinic acid, Butanedioic acid, 2-hydroxy-3-propyl-
| Molecular Formula | C7H12O5 |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | -0.0672 |
| Topological Polar Surface Area | 94.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 176.06847 |
| Heavy Atoms | 12 |
| Complexity | 176.63554 |
Chemical Identifiers
| CAS Number | 20846-59-7 |
|---|---|
| SMILES | CCCC(C(C(=O)O)O)C(=O)O |
Product Overview
3-丙基苹果酸 (CAS 20846-59-7), with molecular formula C7H12O5 and molecular weight 176.07 g/mol. IUPAC: 2-hydroxy-3-propylbutanedioic acid.
Chemical Property Profile of 3-丙基苹果酸
Property Insights of 3-丙基苹果酸
The XLogP value of -0.0672 indicates that 3-丙基苹果酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-丙基苹果酸. Following Lipinski's Rule of Five, 3-丙基苹果酸 has 3 hydrogen bond donor(s) and 3 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-丙基苹果酸?
The CAS number of 3-丙基苹果酸 is 20846-59-7.
What is the molecular formula of 3-丙基苹果酸?
The molecular formula of 3-丙基苹果酸 is C7H12O5.
What is the molecular weight of 3-丙基苹果酸?
The molecular weight of 3-丙基苹果酸 is 176.07 g/mol.
Where can I buy 3-丙基苹果酸?
You can request a quote for 3-丙基苹果酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-丙基苹果酸?
Yes, KEHONG BIO provides custom synthesis services for 3-丙基苹果酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.