3,5-Dimethoxybenzaldehyde
TL;DR: 3,5-Dimethoxybenzaldehyde (CAS 680215-17-2) is a chemical compound with molecular formula C16H15BrFN3S and molecular weight 379.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-bromo-1-phenylethylidene)amino]-3-(4-fluorophenyl)-1-methylthiourea
Also Known As: 3,5-Dimethoxybenzaldehyde, N1-(4-fluorophenyl)-2-(2-bromo-1-phenylethylidene)-1-methylhydrazine-1-carbothioamide, 1-[(2-bromo-1-phenylethylidene)amino]-3-(4-fluorophenyl)-1-methylthiourea, N-(4-chloro-3-nitrophenyl)-N'-(2,3-dihydro-1H-inden-2-yl)urea, (2E)-2-(2-Bromo-1-phenylethylidene)-N-(4-fluorophenyl)-1-methylhydrazinecarbothioamide
| Molecular Formula | C16H15BrFN3S |
|---|---|
| Molecular Weight | 379.02 g/mol |
| LogP | 4.2535 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 379.0154 |
| Heavy Atoms | 22 |
| Complexity | 658.85095 |
Chemical Identifiers
| CAS Number | 680215-17-2 |
|---|---|
| SMILES | CN(C(=S)NC1=CC=C(C=C1)F)N=C(CBr)C2=CC=CC=C2 |
Product Overview
3,5-Dimethoxybenzaldehyde (CAS 680215-17-2), with molecular formula C16H15BrFN3S and molecular weight 379.02 g/mol. IUPAC: 1-[(2-bromo-1-phenylethylidene)amino]-3-(4-fluorophenyl)-1-methylthiourea.
Chemical Property Profile of 3,5-Dimethoxybenzaldehyde
Property Insights of 3,5-Dimethoxybenzaldehyde
The XLogP value of 4.2535 indicates that 3,5-Dimethoxybenzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, 3,5-Dimethoxybenzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethoxybenzaldehyde has 1 hydrogen bond donor(s) and 2 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 3,5-Dimethoxybenzaldehyde?
The CAS number of 3,5-Dimethoxybenzaldehyde is 680215-17-2.
What is the molecular formula of 3,5-Dimethoxybenzaldehyde?
The molecular formula of 3,5-Dimethoxybenzaldehyde is C16H15BrFN3S.
What is the molecular weight of 3,5-Dimethoxybenzaldehyde?
The molecular weight of 3,5-Dimethoxybenzaldehyde is 379.02 g/mol.
Where can I buy 3,5-Dimethoxybenzaldehyde?
You can request a quote for 3,5-Dimethoxybenzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethoxybenzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethoxybenzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.