7-Hydroxymethylbenzanthracene 5,6-oxide
TL;DR: 7-Hydroxymethylbenzanthracene 5,6-oxide (CAS 38554-81-3) is a chemical compound with molecular formula C19H14O2 and molecular weight 274.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaen-19-ylmethanol
Also Known As: 7-Hydroxymethylbenzanthracene 5,6-oxide, 7-Hydroxymethylbenz(a)anthracene 5,6-oxide, 7-Hydroxymethylbenz(a)anthracene-5,6-epoxide, 1a,11b-Dihydrobenz(3,4)anthra(1,2-b)oxirene-11-methanol, (1a,11b-Dihydrotetrapheno[5,6-b]oxiren-11-yl)methanol
| Molecular Formula | C19H14O2 |
|---|---|
| Molecular Weight | 274.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.09937 |
| Heavy Atoms | 21 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 38554-81-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5C(C3=C2CO)O5 |
| InChIKey | PBRGQLALLGOTTK-UHFFFAOYSA-N |
Product Overview
7-Hydroxymethylbenzanthracene 5,6-oxide (CAS 38554-81-3), with molecular formula C19H14O2 and molecular weight 274.10 g/mol. IUPAC: 3-oxapentacyclo[9.8.0.02,4.05,10.013,18]nonadeca-1(19),5,7,9,11,13,15,17-octaen-19-ylmethanol.
Chemical Property Profile of 7-Hydroxymethylbenzanthracene 5,6-oxide
Property Insights of 7-Hydroxymethylbenzanthracene 5,6-oxide
The XLogP value of 3.0 indicates that 7-Hydroxymethylbenzanthracene 5,6-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 7-Hydroxymethylbenzanthracene 5,6-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxymethylbenzanthracene 5,6-oxide 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 7-Hydroxymethylbenzanthracene 5,6-oxide?
The CAS number of 7-Hydroxymethylbenzanthracene 5,6-oxide is 38554-81-3.
What is the molecular formula of 7-Hydroxymethylbenzanthracene 5,6-oxide?
The molecular formula of 7-Hydroxymethylbenzanthracene 5,6-oxide is C19H14O2.
What is the molecular weight of 7-Hydroxymethylbenzanthracene 5,6-oxide?
The molecular weight of 7-Hydroxymethylbenzanthracene 5,6-oxide is 274.10 g/mol.
Where can I buy 7-Hydroxymethylbenzanthracene 5,6-oxide?
You can request a quote for 7-Hydroxymethylbenzanthracene 5,6-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxymethylbenzanthracene 5,6-oxide?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxymethylbenzanthracene 5,6-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.