C15H14N4O13S2
TL;DR: C15H14N4O13S2 (CAS 88-31-3) is a chemical compound with molecular formula C15H14N4O13S2 and molecular weight 522.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-5-nitrobenzenesulfonic acid
Also Known As: 3,3'-(Carbonyldiimino)bis(4-methoxy-6-nitrobenzenesulphonic) acid, 3,3'-(Carbonyldiimino)bis[4-methoxy-6-nitrobenzenesulphonic] acid, 4-methoxy-3-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-5-nitrobenzenesulfonic acid, 4-Methoxy-5-{[(2-methoxy-3-nitro-5-sulfophenyl)carbamoyl]amino}-2-nitrobenzene-1-sulfonic acid
| Molecular Formula | C15H14N4O13S2 |
|---|---|
| Molecular Weight | 522.00 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 277.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.9999 |
| Heavy Atoms | 34 |
| Complexity | 982.0 |
Chemical Identifiers
| CAS Number | 88-31-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1NC(=O)NC2=C(C(=CC(=C2)S(=O)(=O)O)[N+](=O)[O-])OC)S(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | GQYQMNFJTDNODX-UHFFFAOYSA-N |
Product Overview
C15H14N4O13S2 (CAS 88-31-3), with molecular formula C15H14N4O13S2 and molecular weight 522.00 g/mol. IUPAC: 4-methoxy-3-[(2-methoxy-4-nitro-5-sulfophenyl)carbamoylamino]-5-nitrobenzenesulfonic acid.
Chemical Property Profile of C15H14N4O13S2
Property Insights of C15H14N4O13S2
The XLogP value of -0.4 indicates that C15H14N4O13S2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 277.0 Ų indicates high polarity, suggesting C15H14N4O13S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C15H14N4O13S2 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C15H14N4O13S2?
The CAS number of C15H14N4O13S2 is 88-31-3.
What is the molecular formula of C15H14N4O13S2?
The molecular formula of C15H14N4O13S2 is C15H14N4O13S2.
What is the molecular weight of C15H14N4O13S2?
The molecular weight of C15H14N4O13S2 is 522.00 g/mol.
Where can I buy C15H14N4O13S2?
You can request a quote for C15H14N4O13S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H14N4O13S2?
Yes, KEHONG BIO provides custom synthesis services for C15H14N4O13S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.