新洋茉莉醛
TL;DR: 新洋茉莉醛 (CAS 1205-17-0) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
新洋茉莉醛
3-(1,3-benzodioxol-5-yl)-2-methylpropanal
Also Known As: Helional, Tropional, Heliobouquet, Helipropanal, 2-Methyl-3-(3,4-Methylenedioxyphenyl)Propanal
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| Density | 1.158-1.169 |
| Solubility | Insoluble |
| Refractive Index | 1.529-1.539 |
Chemical Identifiers
| CAS Number | 1205-17-0 |
|---|---|
| SMILES | CC(CC1=CC2=C(C=C1)OCO2)C=O |
| InChIKey | BOPPSUHPZARXTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
新洋茉莉醛 (CAS 1205-17-0), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-methylpropanal.
Chemical Property Profile of 新洋茉莉醛
Property Insights of 新洋茉莉醛
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 新洋茉莉醛. With a topological polar surface area (TPSA) of 35.5 Ų, 新洋茉莉醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 新洋茉莉醛 has 0 hydrogen bond donor(s) and 3 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 新洋茉莉醛?
The CAS number of 新洋茉莉醛 is 1205-17-0.
What is the molecular formula of 新洋茉莉醛?
The molecular formula of 新洋茉莉醛 is C11H12O3.
What is the molecular weight of 新洋茉莉醛?
The molecular weight of 新洋茉莉醛 is 192.08 g/mol.
Where can I buy 新洋茉莉醛?
You can request a quote for 新洋茉莉醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 新洋茉莉醛?
Yes, KEHONG BIO provides custom synthesis services for 新洋茉莉醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.