3-甲酰基色酮
TL;DR: 3-甲酰基色酮 (CAS 17422-74-1) is a chemical compound with molecular formula C10H6O3 and molecular weight 174.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲酰基色酮
4-oxochromene-3-carbaldehyde
Also Known As: Chromone-3-carboxaldehyde, 3-Formylchromone, 4-Oxo-4H-chromene-3-carbaldehyde, 4-oxochromene-3-carbaldehyde, Clethodim
| Molecular Formula | C10H6O3 |
|---|---|
| Molecular Weight | 174.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 174.0317 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 17422-74-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=CO2)C=O |
| InChIKey | FSMYWBQIMDSGQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲酰基色酮 (CAS 17422-74-1), with molecular formula C10H6O3 and molecular weight 174.03 g/mol. IUPAC: 4-oxochromene-3-carbaldehyde.
Chemical Property Profile of 3-甲酰基色酮
Property Insights of 3-甲酰基色酮
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲酰基色酮. With a topological polar surface area (TPSA) of 43.4 Ų, 3-甲酰基色酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲酰基色酮 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 3-甲酰基色酮?
The CAS number of 3-甲酰基色酮 is 17422-74-1.
What is the molecular formula of 3-甲酰基色酮?
The molecular formula of 3-甲酰基色酮 is C10H6O3.
What is the molecular weight of 3-甲酰基色酮?
The molecular weight of 3-甲酰基色酮 is 174.03 g/mol.
Where can I buy 3-甲酰基色酮?
You can request a quote for 3-甲酰基色酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲酰基色酮?
Yes, KEHONG BIO provides custom synthesis services for 3-甲酰基色酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.