DMBA-1,9-disulfonic acid
TL;DR: DMBA-1,9-disulfonic acid (CAS 125165-66-4) is a chemical compound with molecular formula C20H16O6S2 and molecular weight 416.03882 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid
Also Known As: DMBA-1,9-disulfonic acid, 7,12-Dimethyltetraphene-1,9-disulfonic acid, 7,12-dimethylbenzo[a]anthracene-1,9-disulfonic acid
Technical Specifications
| Molecular Formula | C20H16O6S2 |
| Molecular Weight | 416.03882 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 416.03882 Da |
| Heavy Atoms | 28 |
| Complexity | 796.0 |
| SMILES | CC1=C2C=CC3=C(C2=C(C4=C1C=C(C=C4)S(=O)(=O)O)C)C(=CC=C3)S(=O)(=O)O |
| InChIKey | NLBMXGFHNBHZET-UHFFFAOYSA-N |
Chemical Property Profile of DMBA-1,9-disulfonic acid
Property Insights of DMBA-1,9-disulfonic acid
The XLogP value of 3.9 indicates that DMBA-1,9-disulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DMBA-1,9-disulfonic acid. Following Lipinski's Rule of Five, DMBA-1,9-disulfonic acid has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of DMBA-1,9-disulfonic acid?
The CAS number of DMBA-1,9-disulfonic acid is 125165-66-4.
What is the molecular formula of DMBA-1,9-disulfonic acid?
The molecular formula of DMBA-1,9-disulfonic acid is C20H16O6S2.
What is the molecular weight of DMBA-1,9-disulfonic acid?
The molecular weight of DMBA-1,9-disulfonic acid is 416.03882 g/mol.
Where can I buy DMBA-1,9-disulfonic acid?
You can request a quote for DMBA-1,9-disulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DMBA-1,9-disulfonic acid?
Yes, CoreyChem provides custom synthesis services for DMBA-1,9-disulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.