3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid
TL;DR: 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid (CAS 120-01-4) is a chemical compound with molecular formula C15H16N2O9S2 and molecular weight 432.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid
Also Known As: 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid, N,N -Bis(2-methoxy-5-sulfophenyl)urea, 3,3 -Ureylenebis(4-methoxybenzenesulfonic acid), 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulfonic) acid, Benzenesulfonic acid, 3,3'-(carbonyldiimino)bis(4-methoxy-
| Molecular Formula | C15H16N2O9S2 |
|---|---|
| Molecular Weight | 432.03 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.02972 |
| Heavy Atoms | 28 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 120-01-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)O)NC(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC |
| InChIKey | JHYBBUAJZBVIRD-UHFFFAOYSA-N |
Product Overview
3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid (CAS 120-01-4), with molecular formula C15H16N2O9S2 and molecular weight 432.03 g/mol. IUPAC: 4-methoxy-3-[(2-methoxy-5-sulfophenyl)carbamoylamino]benzenesulfonic acid.
Chemical Property Profile of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid
Property Insights of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid. The TPSA of 185.0 Ų indicates high polarity, suggesting 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid has 4 hydrogen bond donor(s) and 9 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 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid?
The CAS number of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid is 120-01-4.
What is the molecular formula of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid?
The molecular formula of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid is C15H16N2O9S2.
What is the molecular weight of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid?
The molecular weight of 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid is 432.03 g/mol.
Where can I buy 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid?
You can request a quote for 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-(Carbonyldiimino)bis(4-methoxybenzenesulphonic) acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.