3-Formylguaiazulene
TL;DR: 3-Formylguaiazulene (CAS 3331-47-3) is a chemical compound with molecular formula C16H18O and molecular weight 226.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dimethyl-5-propan-2-ylazulene-1-carbaldehyde
Also Known As: 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde, 3-formylguaiazulene, 3-Formylguajazulen, Guiazulene-1-carboxaldehyde, 7-Isopropyl-1,4-dimethylazulene-3-carboxaldehyde
| Molecular Formula | C16H18O |
|---|---|
| Molecular Weight | 226.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.13577 |
| Heavy Atoms | 17 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 3331-47-3 |
|---|---|
| SMILES | CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C=O |
| InChIKey | CDVRGGMPPUFSFH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Formylguaiazulene (CAS 3331-47-3), with molecular formula C16H18O and molecular weight 226.14 g/mol. IUPAC: 3,8-dimethyl-5-propan-2-ylazulene-1-carbaldehyde.
Chemical Property Profile of 3-Formylguaiazulene
Property Insights of 3-Formylguaiazulene
The XLogP value of 4.2 indicates that 3-Formylguaiazulene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Formylguaiazulene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Formylguaiazulene has 0 hydrogen bond donor(s) and 1 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 3-Formylguaiazulene?
The CAS number of 3-Formylguaiazulene is 3331-47-3.
What is the molecular formula of 3-Formylguaiazulene?
The molecular formula of 3-Formylguaiazulene is C16H18O.
What is the molecular weight of 3-Formylguaiazulene?
The molecular weight of 3-Formylguaiazulene is 226.14 g/mol.
Where can I buy 3-Formylguaiazulene?
You can request a quote for 3-Formylguaiazulene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Formylguaiazulene?
Yes, KEHONG BIO provides custom synthesis services for 3-Formylguaiazulene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.