异辛酸
TL;DR: 异辛酸 (CAS 929-10-2) is a chemical compound with molecular formula C8H16O2 and molecular weight 144.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异辛酸
6-methylheptanoic acid
Also Known As: 6-Methylheptanoic acid, Isooctanoic acid, Isocaprylic acid, Cekanoic C8 acid, Cecanoic C8 acid
| Molecular Formula | C8H16O2 |
|---|---|
| Molecular Weight | 144.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 144.11504 |
| Heavy Atoms | 10 |
| Complexity | 97.0 |
| Melting Point | 0 °C |
Chemical Identifiers
| CAS Number | 929-10-2 |
|---|---|
| SMILES | CC(C)CCCCC(=O)O |
| InChIKey | OEOIWYCWCDBOPA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异辛酸 (CAS 929-10-2), with molecular formula C8H16O2 and molecular weight 144.12 g/mol. IUPAC: 6-methylheptanoic acid.
Chemical Property Profile of 异辛酸
Property Insights of 异辛酸
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异辛酸. With a topological polar surface area (TPSA) of 37.3 Ų, 异辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异辛酸 has 1 hydrogen bond donor(s) and 2 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 异辛酸?
The CAS number of 异辛酸 is 929-10-2.
What is the molecular formula of 异辛酸?
The molecular formula of 异辛酸 is C8H16O2.
What is the molecular weight of 异辛酸?
The molecular weight of 异辛酸 is 144.12 g/mol.
Where can I buy 异辛酸?
You can request a quote for 异辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异辛酸?
Yes, KEHONG BIO provides custom synthesis services for 异辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.