4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
TL;DR: 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine (CAS 352666-68-3) is a chemical compound with molecular formula C10H9BrN4O3S and molecular weight 343.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
Also Known As: 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine, BAS 00910975, 7-Bromo-4-morpholin-4-yl-5-nitro-benzo[1,2,5]thiadiazole, 7-bromo-4-(morpholin-4-yl)-5-nitro-2,1,3-benzothiadiazole, 7-bromo-5-nitro-4-(4-morpholinyl)-2,1,3-benzothiadiazole
| Molecular Formula | C10H9BrN4O3S |
|---|---|
| Molecular Weight | 343.96 g/mol |
| LogP | 2.1986 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.95786 |
| Heavy Atoms | 19 |
| Complexity | 640.9816 |
Chemical Identifiers
| CAS Number | 352666-68-3 |
|---|---|
| SMILES | C1COCCN1C2=C(C=C(C3=NSN=C23)Br)[N+](=O)[O-] |
Product Overview
4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine (CAS 352666-68-3), with molecular formula C10H9BrN4O3S and molecular weight 343.96 g/mol. IUPAC: 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine.
Chemical Property Profile of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
Property Insights of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine
The XLogP value of 2.1986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine. Following Lipinski's Rule of Five, 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine has 0 hydrogen bond donor(s) and 7 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-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine?
The CAS number of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine is 352666-68-3.
What is the molecular formula of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine?
The molecular formula of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine is C10H9BrN4O3S.
What is the molecular weight of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine?
The molecular weight of 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine is 343.96 g/mol.
Where can I buy 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine?
You can request a quote for 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(7-bromo-5-nitro-2,1,3-benzothiadiazol-4-yl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.