DMBA-9-sulfonic acid
TL;DR: DMBA-9-sulfonic acid (CAS 125165-63-1) is a chemical compound with molecular formula C20H16O3S and molecular weight 336.082 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,12-dimethylbenzo[a]anthracene-9-sulfonic acid
Also Known As: DMBA-9-sulfonic acid, 7,12-Dimethyltetraphene-9-sulfonic acid, 7,12-dimethylbenzo[a]anthracene-9-sulfonic acid
Technical Specifications
| Molecular Formula | C20H16O3S |
| Molecular Weight | 336.082 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.082 Da |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C=C(C=C4)S(=O)(=O)O)C |
| InChIKey | GHZDPGKIHDVZPA-UHFFFAOYSA-N |
Chemical Property Profile of DMBA-9-sulfonic acid
Property Insights of DMBA-9-sulfonic acid
The XLogP value of 4.5 indicates that DMBA-9-sulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for DMBA-9-sulfonic acid. Following Lipinski's Rule of Five, DMBA-9-sulfonic acid has 1 hydrogen bond donor(s) and 3 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-9-sulfonic acid?
The CAS number of DMBA-9-sulfonic acid is 125165-63-1.
What is the molecular formula of DMBA-9-sulfonic acid?
The molecular formula of DMBA-9-sulfonic acid is C20H16O3S.
What is the molecular weight of DMBA-9-sulfonic acid?
The molecular weight of DMBA-9-sulfonic acid is 336.082 g/mol.
Where can I buy DMBA-9-sulfonic acid?
You can request a quote for DMBA-9-sulfonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for DMBA-9-sulfonic acid?
Yes, CoreyChem provides custom synthesis services for DMBA-9-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.