3-Chloro-4,5-dimethoxybenzaldehyde
TL;DR: 3-Chloro-4,5-dimethoxybenzaldehyde (CAS 21271-80-7) is a chemical compound with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,5-dimethoxybenzaldehyde
Also Known As: 3-Chloro-4,5-dimethoxybenzaldehyde, benzaldehyde, 3-chloro-4,5-dimethoxy-, 5-Chloroveratraldehyde, 5-chloro-3,4-dimethoxybenzaldehyde, 3-chloro-4,5-dimethoxy-benzaldehyde
| Molecular Formula | C9H9ClO3 |
|---|---|
| Molecular Weight | 200.02 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.02402 |
| Heavy Atoms | 13 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 21271-80-7 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=O)Cl)OC |
| InChIKey | AMZCHEDPEAQEMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-4,5-dimethoxybenzaldehyde (CAS 21271-80-7), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 3-chloro-4,5-dimethoxybenzaldehyde.
Chemical Property Profile of 3-Chloro-4,5-dimethoxybenzaldehyde
Property Insights of 3-Chloro-4,5-dimethoxybenzaldehyde
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4,5-dimethoxybenzaldehyde. With a topological polar surface area (TPSA) of 35.5 Ų, 3-Chloro-4,5-dimethoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-4,5-dimethoxybenzaldehyde 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-Chloro-4,5-dimethoxybenzaldehyde?
The CAS number of 3-Chloro-4,5-dimethoxybenzaldehyde is 21271-80-7.
What is the molecular formula of 3-Chloro-4,5-dimethoxybenzaldehyde?
The molecular formula of 3-Chloro-4,5-dimethoxybenzaldehyde is C9H9ClO3.
What is the molecular weight of 3-Chloro-4,5-dimethoxybenzaldehyde?
The molecular weight of 3-Chloro-4,5-dimethoxybenzaldehyde is 200.02 g/mol.
Where can I buy 3-Chloro-4,5-dimethoxybenzaldehyde?
You can request a quote for 3-Chloro-4,5-dimethoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4,5-dimethoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,5-dimethoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.