香茅酸
TL;DR: 香茅酸 (CAS 502-47-6) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
香茅酸
3,7-dimethyloct-6-enoic acid
Also Known As: Citronellic acid, 3,7-dimethyloct-6-enoic acid, Rhodinolic acid, Rhodinic Acid, 3,7-Dimethyl-6-octenoic acid
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| Melting Point | 257 °C |
| Boiling Point | 121.00 to 122.00 °C. @ 1.00 mm Hg |
| Density | 0.920-0.926 (20°) |
| Solubility | slightly |
| Refractive Index | 1.455-1.462 |
Chemical Identifiers
| CAS Number | 502-47-6 |
|---|---|
| SMILES | CC(CCC=C(C)C)CC(=O)O |
| InChIKey | GJWSUKYXUMVMGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
香茅酸 (CAS 502-47-6), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3,7-dimethyloct-6-enoic acid.
Chemical Property Profile of 香茅酸
Property Insights of 香茅酸
The XLogP value of 3.0 indicates that 香茅酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 香茅酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 香茅酸 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 香茅酸?
The CAS number of 香茅酸 is 502-47-6.
What is the molecular formula of 香茅酸?
The molecular formula of 香茅酸 is C10H18O2.
What is the molecular weight of 香茅酸?
The molecular weight of 香茅酸 is 170.13 g/mol.
Where can I buy 香茅酸?
You can request a quote for 香茅酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 香茅酸?
Yes, KEHONG BIO provides custom synthesis services for 香茅酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.