1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol
TL;DR: 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol (CAS 40495-38-3) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaen-19-yl)methanol
Also Known As: 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol, 7-(Hydroxymethyl)-12-methylbenz(a)anthracene 5,6-oxide, Benz(3,4)anthra(1,2-b)oxirene-11-methanol, 1a,11b-dihydro-6-methyl-, (6-Methyl-1a,11b-dihydrotetrapheno[5,6-b]oxiren-11-yl)methanol
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 40495-38-3 |
|---|---|
| SMILES | CC1=C2C3=CC=CC=C3C4C(C2=C(C5=CC=CC=C15)CO)O4 |
| InChIKey | FQBADCHKPUAHET-UHFFFAOYSA-N |
Product Overview
1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol (CAS 40495-38-3), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: (12-methyl-3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaen-19-yl)methanol.
Chemical Property Profile of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol
Property Insights of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol
The XLogP value of 3.3 indicates that 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol has 1 hydrogen bond donor(s) and 2 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,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol?
The CAS number of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol is 40495-38-3.
What is the molecular formula of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol?
The molecular formula of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol is C20H16O2.
What is the molecular weight of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol?
The molecular weight of 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol is 288.12 g/mol.
Where can I buy 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol?
You can request a quote for 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol?
Yes, KEHONG BIO provides custom synthesis services for 1a,11b-Dihydro-6-methylbenz(3,4)anthra(1,2-b)oxirene-11-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.