甲基香荚兰醛
TL;DR: 甲基香荚兰醛 (CAS 120-14-9) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲基香荚兰醛
3,4-dimethoxybenzaldehyde
Also Known As: VERATRALDEHYDE, 3,4-Dimethoxybenzaldehyde, Veratric aldehyde, Methylvanillin, Veratral
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| Melting Point | 108 to 42.8 °C |
| Boiling Point | 281.1 °C at 760 mmHg |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
| Flash Point | greater than 110.0 °C |
Chemical Identifiers
| CAS Number | 120-14-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C=O)OC |
| InChIKey | WJUFSDZVCOTFON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲基香荚兰醛 (CAS 120-14-9), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3,4-dimethoxybenzaldehyde.
Chemical Property Profile of 甲基香荚兰醛
Property Insights of 甲基香荚兰醛
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲基香荚兰醛. With a topological polar surface area (TPSA) of 35.5 Ų, 甲基香荚兰醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲基香荚兰醛 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 甲基香荚兰醛?
The CAS number of 甲基香荚兰醛 is 120-14-9.
What is the molecular formula of 甲基香荚兰醛?
The molecular formula of 甲基香荚兰醛 is C9H10O3.
What is the molecular weight of 甲基香荚兰醛?
The molecular weight of 甲基香荚兰醛 is 166.06 g/mol.
Where can I buy 甲基香荚兰醛?
You can request a quote for 甲基香荚兰醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲基香荚兰醛?
Yes, KEHONG BIO provides custom synthesis services for 甲基香荚兰醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.