橙花素
TL;DR: 橙花素 (CAS 89-43-0) is a chemical compound with molecular formula C18H27NO3 and molecular weight 305.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
橙花素
methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
Also Known As: Aurantiol, Aurantium, Aurantine, Aurantion, Aurantiol, (+/-)-
| Molecular Formula | C18H27NO3 |
|---|---|
| Molecular Weight | 305.20 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 305.1991 |
| Heavy Atoms | 22 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 89-43-0 |
|---|---|
| SMILES | CC(CCCC(C)(C)O)CC=NC1=CC=CC=C1C(=O)OC |
| InChIKey | BFBPISPWJZMWJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
橙花素 (CAS 89-43-0), with molecular formula C18H27NO3 and molecular weight 305.20 g/mol. IUPAC: methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate.
Chemical Property Profile of 橙花素
Property Insights of 橙花素
The XLogP value of 3.3 indicates that 橙花素 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.9 Ų, 橙花素 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 橙花素 has 1 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 橙花素?
The CAS number of 橙花素 is 89-43-0.
What is the molecular formula of 橙花素?
The molecular formula of 橙花素 is C18H27NO3.
What is the molecular weight of 橙花素?
The molecular weight of 橙花素 is 305.20 g/mol.
Where can I buy 橙花素?
You can request a quote for 橙花素 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 橙花素?
Yes, KEHONG BIO provides custom synthesis services for 橙花素 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.