丁基丙二酸
TL;DR: 丁基丙二酸 (CAS 534-59-8) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁基丙二酸
2-butylpropanedioic acid
Also Known As: Butylmalonic acid, 2-Butylmalonic acid, n-Butylmalonic acid, 2-butylpropanedioic acid, Butylmalonate
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 534-59-8 |
|---|---|
| SMILES | CCCCC(C(=O)O)C(=O)O |
| InChIKey | MCRZWYDXIGCFKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁基丙二酸 (CAS 534-59-8), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 2-butylpropanedioic acid.
Chemical Property Profile of 丁基丙二酸
Property Insights of 丁基丙二酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁基丙二酸. Following Lipinski's Rule of Five, 丁基丙二酸 has 2 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 丁基丙二酸?
The CAS number of 丁基丙二酸 is 534-59-8.
What is the molecular formula of 丁基丙二酸?
The molecular formula of 丁基丙二酸 is C7H12O4.
What is the molecular weight of 丁基丙二酸?
The molecular weight of 丁基丙二酸 is 160.07 g/mol.
Where can I buy 丁基丙二酸?
You can request a quote for 丁基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 丁基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.