MCA epoxide
TL;DR: MCA epoxide (CAS 12758-74-6) is a chemical compound with molecular formula C21H16O and molecular weight 284.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-methyl-19-oxahexacyclo[11.7.1.02,11.05,10.017,21.018,20]henicosa-1,3,5,7,9,11,13,15-octaene
Also Known As: MCA epoxide, 3-Methylcholanthrene epoxide, Cholanthrene, 3-methyl-, epoxide, Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-, monoepoxide, Benz(j)aceanthrylene, 1,2-dihydro-3-methyl-, monoepoxide (9CI)
| Molecular Formula | C21H16O |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.12012 |
| Heavy Atoms | 22 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 12758-74-6 |
|---|---|
| SMILES | CC1=CC=C2C=C3C(=C4C2C1C5C4O5)C=CC6=CC=CC=C63 |
| InChIKey | CFKGZRQWIHWAGS-UHFFFAOYSA-N |
Product Overview
MCA epoxide (CAS 12758-74-6), with molecular formula C21H16O and molecular weight 284.12 g/mol. IUPAC: 16-methyl-19-oxahexacyclo[11.7.1.02,11.05,10.017,21.018,20]henicosa-1,3,5,7,9,11,13,15-octaene.
Chemical Property Profile of MCA epoxide
Property Insights of MCA epoxide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MCA epoxide. With a topological polar surface area (TPSA) of 12.5 Ų, MCA epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, MCA epoxide 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 MCA epoxide?
The CAS number of MCA epoxide is 12758-74-6.
What is the molecular formula of MCA epoxide?
The molecular formula of MCA epoxide is C21H16O.
What is the molecular weight of MCA epoxide?
The molecular weight of MCA epoxide is 284.12 g/mol.
Where can I buy MCA epoxide?
You can request a quote for MCA epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MCA epoxide?
Yes, KEHONG BIO provides custom synthesis services for MCA epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.