DMBA
TL;DR: DMBA (CAS 57-97-6) is a chemical compound with molecular formula C20H16 and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
DMBA
7,12-dimethylbenzo[a]anthracene
Also Known As: 7,12-Dimethylbenz[a]anthracene, DMBA, 7,12-dimethyltetraphene, 7,12-Dimethylbenzanthracene, 9,10-Dimethyl-1,2-benzanthracene
| Molecular Formula | C20H16 |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 256.1252 |
| Heavy Atoms | 20 |
| Complexity | 346.0 |
| Melting Point | 252 to 122.8 °C |
| Solubility | less than 1 mg/mL at 64 °F (NTP, 1992) |
| Flash Point | 86.1 °C |
| Vapor Pressure | 0.0000002 [mmHg] |
Chemical Identifiers
| CAS Number | 57-97-6 |
|---|---|
| SMILES | CC1=C2C=CC3=CC=CC=C3C2=C(C4=CC=CC=C14)C |
| InChIKey | ARSRBNBHOADGJU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DMBA (CAS 57-97-6), with molecular formula C20H16 and molecular weight 256.13 g/mol. IUPAC: 7,12-dimethylbenzo[a]anthracene.
Chemical Property Profile of DMBA
Property Insights of DMBA
The XLogP value of 5.8 indicates that DMBA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, DMBA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DMBA has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of DMBA?
The CAS number of DMBA is 57-97-6.
What is the molecular formula of DMBA?
The molecular formula of DMBA is C20H16.
What is the molecular weight of DMBA?
The molecular weight of DMBA is 256.13 g/mol.
Where can I buy DMBA?
You can request a quote for DMBA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DMBA?
Yes, KEHONG BIO provides custom synthesis services for DMBA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.