7-甲基辛酸
TL;DR: 7-甲基辛酸 (CAS 693-19-6) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-甲基辛酸
7-methyloctanoic acid
Also Known As: 7-methyloctanoic acid, ISONONANOIC ACID, isopelargonic acid, Isononanoicacid, Isononylic acid
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 693-19-6 |
|---|---|
| SMILES | CC(C)CCCCCC(=O)O |
| InChIKey | XZOYHFBNQHPJRQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-甲基辛酸 (CAS 693-19-6), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: 7-methyloctanoic acid.
Chemical Property Profile of 7-甲基辛酸
Property Insights of 7-甲基辛酸
The XLogP value of 3.3 indicates that 7-甲基辛酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 7-甲基辛酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-甲基辛酸 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 7-甲基辛酸?
The CAS number of 7-甲基辛酸 is 693-19-6.
What is the molecular formula of 7-甲基辛酸?
The molecular formula of 7-甲基辛酸 is C9H18O2.
What is the molecular weight of 7-甲基辛酸?
The molecular weight of 7-甲基辛酸 is 158.13 g/mol.
Where can I buy 7-甲基辛酸?
You can request a quote for 7-甲基辛酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-甲基辛酸?
Yes, KEHONG BIO provides custom synthesis services for 7-甲基辛酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.