4-(1,2,3-Thiadiazol-4-yl)benzaldehyde
TL;DR: 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde (CAS 321309-44-8) is a chemical compound with molecular formula C9H6N2OS and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(thiadiazol-4-yl)benzaldehyde
Also Known As: 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde, 4-(thiadiazol-4-yl)benzaldehyde, 4-(4-thiadiazolyl)benzaldehyde, Benzaldehyde,4-(1,2,3-thiadiazol-4-yl)-, 4-[1,2,3]thiadiazol-4-yl-benzaldehyde
| Molecular Formula | C9H6N2OS |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 2.0176 |
| Topological Polar Surface Area | 42.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.02008 |
| Heavy Atoms | 13 |
| Complexity | 394.06287 |
Chemical Identifiers
| CAS Number | 321309-44-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=O)C2=CSN=N2 |
Product Overview
4-(1,2,3-Thiadiazol-4-yl)benzaldehyde (CAS 321309-44-8), with molecular formula C9H6N2OS and molecular weight 190.02 g/mol. IUPAC: 4-(thiadiazol-4-yl)benzaldehyde.
Chemical Property Profile of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde
Property Insights of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde
The XLogP value of 2.0176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde. With a topological polar surface area (TPSA) of 42.85 Ų, 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde has 0 hydrogen bond donor(s) and 4 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 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde?
The CAS number of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde is 321309-44-8.
What is the molecular formula of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde?
The molecular formula of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde is C9H6N2OS.
What is the molecular weight of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde?
The molecular weight of 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde is 190.02 g/mol.
Where can I buy 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde?
You can request a quote for 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2,3-Thiadiazol-4-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.