己基丙二酸
TL;DR: 己基丙二酸 (CAS 3974-36-5) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
己基丙二酸
2-hexylpropanedioic acid
Also Known As: Hexylmalonic acid, 2-hexylmalonic acid, 2-hexylpropanedioic acid, 2-Hexyl-malonic acid, HexylMalonicAcid
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 3974-36-5 |
|---|---|
| SMILES | CCCCCCC(C(=O)O)C(=O)O |
| InChIKey | UPFSMSDGKQSRLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
己基丙二酸 (CAS 3974-36-5), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 2-hexylpropanedioic acid.
Chemical Property Profile of 己基丙二酸
Property Insights of 己基丙二酸
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 己基丙二酸. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 己基丙二酸. Following Lipinski's Rule of Five, 己基丙二酸 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 己基丙二酸?
The CAS number of 己基丙二酸 is 3974-36-5.
What is the molecular formula of 己基丙二酸?
The molecular formula of 己基丙二酸 is C9H16O4.
What is the molecular weight of 己基丙二酸?
The molecular weight of 己基丙二酸 is 188.10 g/mol.
Where can I buy 己基丙二酸?
You can request a quote for 己基丙二酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 己基丙二酸?
Yes, KEHONG BIO provides custom synthesis services for 己基丙二酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.