1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene
TL;DR: 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene (CAS 3416-21-5) 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.
17-methyl-4-oxahexacyclo[12.6.1.02,12.03,5.06,11.018,21]henicosa-1(21),2(12),6,8,10,13,15,17-octaene
Also Known As: 11,12-Epoxy-3-methylcholanthrene, Methylcholanthrene-11,12-epoxide, 3-Methylcholanthrene-11,12-epoxide, 3-Methylcholanthrene 11,12-epoxide, 3-Methylcholanthrene 11,12-oxide
| Molecular Formula | C21H16O |
|---|---|
| Molecular Weight | 284.12 g/mol |
| LogP | 4.5 |
| 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 | 473.0 |
Chemical Identifiers
| CAS Number | 3416-21-5 |
|---|---|
| SMILES | CC1=C2CCC3=C2C(=CC4=C3C5C(O5)C6=CC=CC=C64)C=C1 |
| InChIKey | LFYCWMXAEDCADG-UHFFFAOYSA-N |
Product Overview
1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene (CAS 3416-21-5), with molecular formula C21H16O and molecular weight 284.12 g/mol. IUPAC: 17-methyl-4-oxahexacyclo[12.6.1.02,12.03,5.06,11.018,21]henicosa-1(21),2(12),6,8,10,13,15,17-octaene.
Chemical Property Profile of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene
Property Insights of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene
The XLogP value of 4.5 indicates that 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene 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 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene?
The CAS number of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene is 3416-21-5.
What is the molecular formula of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene?
The molecular formula of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene is C21H16O.
What is the molecular weight of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene?
The molecular weight of 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene is 284.12 g/mol.
Where can I buy 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene?
You can request a quote for 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene?
Yes, KEHONG BIO provides custom synthesis services for 1a,10,11,11c-Tetrahydro-9-methylbenz(7,8)aceanthryleno(9,10-b)oxirene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.