4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole
TL;DR: 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole (CAS 89938-24-9) is a chemical compound with molecular formula C8H7ClN2OS and molecular weight 214.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(chloromethyl)-5-methoxy-2,1,3-benzothiadiazole
Also Known As: 4-(chloromethyl)-5-methoxy-2,1,3-benzothiadiazole, 4-Chlormethyl-5-methoxy-2,1,3-benzthiodiazol, 2,1,3-Benzothiadiazole, 4-(chloromethyl)-5-methoxy-, 4-Chloromethyl-5-methoxy-2,1,3-benzothiadiazole, 4-(chloromethyl)-5-methoxybenzo[c][1,2,5]thiadiazole
| Molecular Formula | C8H7ClN2OS |
|---|---|
| Molecular Weight | 214.00 g/mol |
| LogP | 2.4387 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.99677 |
| Heavy Atoms | 13 |
| Complexity | 429.00128 |
Chemical Identifiers
| CAS Number | 89938-24-9 |
|---|---|
| SMILES | COC1=C(C2=NSN=C2C=C1)CCl |
Product Overview
4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole (CAS 89938-24-9), with molecular formula C8H7ClN2OS and molecular weight 214.00 g/mol. IUPAC: 4-(chloromethyl)-5-methoxy-2,1,3-benzothiadiazole.
Chemical Property Profile of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole
Property Insights of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole
The XLogP value of 2.4387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole. With a topological polar surface area (TPSA) of 35.01 Ų, 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole 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-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole?
The CAS number of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole is 89938-24-9.
What is the molecular formula of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole?
The molecular formula of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole is C8H7ClN2OS.
What is the molecular weight of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole?
The molecular weight of 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole is 214.00 g/mol.
Where can I buy 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole?
You can request a quote for 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chloromethyl)-5-methoxy-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.