2-氯-3,4-二甲氧基苯甲醛
TL;DR: 2-氯-3,4-二甲氧基苯甲醛 (CAS 5417-17-4) 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.
2-氯-3,4-二甲氧基苯甲醛
2-chloro-3,4-dimethoxybenzaldehyde
Also Known As: 2-Chloro-3,4-dimethoxybenzaldehyde, 2-Chloroveratraldehyde, chloroveratraldehyde, Veratraldehyde, 2-chloro-, Benzaldehyde, 2-chloro-3,4-dimethoxy-
| 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 | 5417-17-4 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C=O)Cl)OC |
| InChIKey | SAWHDJTZESXNMM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-3,4-二甲氧基苯甲醛 (CAS 5417-17-4), with molecular formula C9H9ClO3 and molecular weight 200.02 g/mol. IUPAC: 2-chloro-3,4-dimethoxybenzaldehyde.
Chemical Property Profile of 2-氯-3,4-二甲氧基苯甲醛
Property Insights of 2-氯-3,4-二甲氧基苯甲醛
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-3,4-二甲氧基苯甲醛. With a topological polar surface area (TPSA) of 35.5 Ų, 2-氯-3,4-二甲氧基苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯藜芦醛 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 2-氯藜芦醛?
The CAS number of 2-氯藜芦醛 is 5417-17-4.
What is the molecular formula of 2-氯藜芦醛?
The molecular formula of 2-氯藜芦醛 is C9H9ClO3.
What is the molecular weight of 2-氯藜芦醛?
The molecular weight of 2-氯藜芦醛 is 200.02 g/mol.
Where can I buy 2-氯藜芦醛?
You can request a quote for 2-氯藜芦醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯藜芦醛?
Yes, KEHONG BIO provides custom synthesis services for 2-氯藜芦醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.