BAS 00319012
TL;DR: BAS 00319012 (CAS 314754-48-8) is a chemical compound with molecular formula C19H10Cl4N2O6S and molecular weight 533.90 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] 3,4-dichlorobenzenesulfonate
Also Known As: BAS 00319012, AE-641/32254064, [4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 3,4-dichlorobenzenesulfonate, 4-chloro-2-((2-chloro-4-nitrophenyl)carbamoyl)phenyl 3,4-dichlorobenzenesulfonate, 4-chloro-2-({2-chloro-4-nitroanilino}carbonyl)phenyl 3,4-dichlorobenzenesulfonate
| Molecular Formula | C19H10Cl4N2O6S |
|---|---|
| Molecular Weight | 533.90 g/mol |
| LogP | 6.2284 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.90137 |
| Heavy Atoms | 32 |
| Complexity | 1347.6398 |
Chemical Identifiers
| CAS Number | 314754-48-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Cl)NC(=O)C2=C(C=CC(=C2)Cl)OS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl |
Product Overview
BAS 00319012 (CAS 314754-48-8), with molecular formula C19H10Cl4N2O6S and molecular weight 533.90 g/mol. IUPAC: [4-chloro-2-[(2-chloro-4-nitrophenyl)carbamoyl]phenyl] 3,4-dichlorobenzenesulfonate.
Chemical Property Profile of BAS 00319012
Property Insights of BAS 00319012
The XLogP value of 6.2284 indicates that BAS 00319012 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.61 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00319012. Following Lipinski's Rule of Five, BAS 00319012 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00319012?
The CAS number of BAS 00319012 is 314754-48-8.
What is the molecular formula of BAS 00319012?
The molecular formula of BAS 00319012 is C19H10Cl4N2O6S.
What is the molecular weight of BAS 00319012?
The molecular weight of BAS 00319012 is 533.90 g/mol.
Where can I buy BAS 00319012?
You can request a quote for BAS 00319012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00319012?
Yes, KEHONG BIO provides custom synthesis services for BAS 00319012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.