4-(1,2,3-Thiadiazol-4-yl)benzyl bromide
TL;DR: 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide (CAS 163798-92-3) is a chemical compound with molecular formula C9H7BrN2S and molecular weight 253.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(bromomethyl)phenyl]thiadiazole
Also Known As: 4-[4-(Bromomethyl)Phenyl]-1,2,3-Thiadiazole, 4-[4-(bromomethyl)phenyl]thiadiazole, 4-(4-(Bromomethyl)phenyl)-1,2,3-thiadiazole, 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide, 1,2,3-Thiadiazole,4-[4-(bromomethyl)phenyl]-
| Molecular Formula | C9H7BrN2S |
|---|---|
| Molecular Weight | 253.95 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.95132 |
| Heavy Atoms | 13 |
| Complexity | 369.02304 |
Chemical Identifiers
| CAS Number | 163798-92-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CBr)C2=CSN=N2 |
Product Overview
4-(1,2,3-Thiadiazol-4-yl)benzyl bromide (CAS 163798-92-3), with molecular formula C9H7BrN2S and molecular weight 253.95 g/mol. IUPAC: 4-[4-(bromomethyl)phenyl]thiadiazole.
Chemical Property Profile of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide
Property Insights of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide
The XLogP value of 3.1 indicates that 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide 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 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide?
The CAS number of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide is 163798-92-3.
What is the molecular formula of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide?
The molecular formula of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide is C9H7BrN2S.
What is the molecular weight of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide?
The molecular weight of 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide is 253.95 g/mol.
Where can I buy 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide?
You can request a quote for 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide 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)benzyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,2,3-Thiadiazol-4-yl)benzyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.