DMBA-1-磺酸
TL;DR: DMBA-1-磺酸 (CAS 125165-56-2) is a chemical compound with molecular formula C20H16O3S and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
DMBA-1-磺酸
7,12-dimethylbenzo[a]anthracene-1-sulfonic acid
Also Known As: DMBA-1-sulfonic acid, 7,12-dimethyltetraphene-1-sulfonic acid, 7,12-dimethylbenzo[a]anthracene-1-sulfonic acid
| Molecular Formula | C20H16O3S |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.082 |
| Heavy Atoms | 24 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 125165-56-2 |
|---|---|
| SMILES | CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C(=CC=C3)S(=O)(=O)O |
| InChIKey | CXGZRUUOMMVFJJ-UHFFFAOYSA-N |
Product Overview
DMBA-1-磺酸 (CAS 125165-56-2), with molecular formula C20H16O3S and molecular weight 336.08 g/mol. IUPAC: 7,12-dimethylbenzo[a]anthracene-1-sulfonic acid.
Chemical Property Profile of DMBA-1-磺酸
Property Insights of DMBA-1-磺酸
The XLogP value of 5.1 indicates that DMBA-1-磺酸 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-1-磺酸. Following Lipinski's Rule of Five, DMBA-1-磺酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DMBA-1-磺酸?
The CAS number of DMBA-1-磺酸 is 125165-56-2.
What is the molecular formula of DMBA-1-磺酸?
The molecular formula of DMBA-1-磺酸 is C20H16O3S.
What is the molecular weight of DMBA-1-磺酸?
The molecular weight of DMBA-1-磺酸 is 336.08 g/mol.
Where can I buy DMBA-1-磺酸?
You can request a quote for DMBA-1-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DMBA-1-磺酸?
Yes, KEHONG BIO provides custom synthesis services for DMBA-1-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.