甲酸橙花酯
TL;DR: 甲酸橙花酯 (CAS 2142-94-1) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酸橙花酯
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
Also Known As: Neryl formate, (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.2389 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 210.13017 |
Chemical Identifiers
| CAS Number | 2142-94-1 |
|---|---|
| SMILES | CC(=CCC/C(=C/C(C=O)O)/C)C |
Product Overview
甲酸橙花酯 (CAS 2142-94-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: (3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal.
Chemical Property Profile of 甲酸橙花酯
Property Insights of 甲酸橙花酯
The XLogP value of 2.2389 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲酸橙花酯. With a topological polar surface area (TPSA) of 37.3 Ų, 甲酸橙花酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲酸橙花酯 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 甲酸橙花酯?
The CAS number of 甲酸橙花酯 is 2142-94-1.
What is the molecular formula of 甲酸橙花酯?
The molecular formula of 甲酸橙花酯 is C11H18O2.
What is the molecular weight of 甲酸橙花酯?
The molecular weight of 甲酸橙花酯 is 182.13 g/mol.
Where can I buy 甲酸橙花酯?
You can request a quote for 甲酸橙花酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酸橙花酯?
Yes, KEHONG BIO provides custom synthesis services for 甲酸橙花酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.