BAS 00448593
TL;DR: BAS 00448593 (CAS 332405-73-9) is a chemical compound with molecular formula C19H10Cl2N4O6S2 and molecular weight 523.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 2,1,3-benzothiadiazole-4-sulfonate
Also Known As: BAS 00448593, [4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 2,1,3-benzothiadiazole-4-sulfonate, 4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl 2,1,3-benzothiadiazole-4-sulfonate, 4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenyl benzo[c][1,2,5]thiadiazole-4-sulfonate, 4-chloro-2-[N-(2-chloro-4-nitrophenyl)carbamoyl]phenyl benzo[2,3-c]1,2,5-thiad iazole-4-sulfonate
| Molecular Formula | C19H10Cl2N4O6S2 |
|---|---|
| Molecular Weight | 523.94 g/mol |
| LogP | 4.9263 |
| Topological Polar Surface Area | 141.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 523.9419 |
| Heavy Atoms | 33 |
| Complexity | 1524.0038 |
Chemical Identifiers
| CAS Number | 332405-73-9 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)OC3=C(C=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Cl |
Product Overview
BAS 00448593 (CAS 332405-73-9), with molecular formula C19H10Cl2N4O6S2 and molecular weight 523.94 g/mol. IUPAC: [4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 2,1,3-benzothiadiazole-4-sulfonate.
Chemical Property Profile of BAS 00448593
Property Insights of BAS 00448593
The XLogP value of 4.9263 indicates that BAS 00448593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.39 Ų indicates high polarity, suggesting BAS 00448593 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00448593 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00448593?
The CAS number of BAS 00448593 is 332405-73-9.
What is the molecular formula of BAS 00448593?
The molecular formula of BAS 00448593 is C19H10Cl2N4O6S2.
What is the molecular weight of BAS 00448593?
The molecular weight of BAS 00448593 is 523.94 g/mol.
Where can I buy BAS 00448593?
You can request a quote for BAS 00448593 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00448593?
Yes, KEHONG BIO provides custom synthesis services for BAS 00448593 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.