Edmba
TL;DR: Edmba (CAS 39834-38-3) is a chemical compound with molecular formula C20H16O and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,19-dimethyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene
Also Known As: Edmba, DMBA-5,6-epoxide, 7,12-Dimethylbenz[a]anthracene 5,6-oxide, trans-12-Tetradecenyl acetate, 7,12-Dimethylbenz(a)anthracene 5,6-oxide
| Molecular Formula | C20H16O |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 272.12012 |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 39834-38-3 |
|---|---|
| SMILES | CC1=C2C3C(O3)C4=CC=CC=C4C2=C(C5=CC=CC=C15)C |
| InChIKey | HVGNLIKFFBYBQM-UHFFFAOYSA-N |
Product Overview
Edmba (CAS 39834-38-3), with molecular formula C20H16O and molecular weight 272.12 g/mol. IUPAC: 12,19-dimethyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaene.
Chemical Property Profile of Edmba
Property Insights of Edmba
The XLogP value of 4.6 indicates that Edmba is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Edmba exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Edmba has 0 hydrogen bond donor(s) and 1 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 Edmba?
The CAS number of Edmba is 39834-38-3.
What is the molecular formula of Edmba?
The molecular formula of Edmba is C20H16O.
What is the molecular weight of Edmba?
The molecular weight of Edmba is 272.12 g/mol.
Where can I buy Edmba?
You can request a quote for Edmba directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Edmba?
Yes, KEHONG BIO provides custom synthesis services for Edmba and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.