3,4-Dihydrobenz(a)anthracen-1(2H)-one
TL;DR: 3,4-Dihydrobenz(a)anthracen-1(2H)-one (CAS 57652-74-1) is a chemical compound with molecular formula C18H14O and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-benzo[a]anthracen-1-one
Also Known As: 3,4-Dihydrobenz[a]anthracen-1(2H)-one, EINECS 260-883-5, 3,4-dihydro-2H-benzo[a]anthracen-1-one, 3,4-Dihydrobenz(a)anthracen-1(2H)-one, Oxo-tetrahydrobenzo[a]anthracene
| Molecular Formula | C18H14O |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.10446 |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 57652-74-1 |
|---|---|
| SMILES | C1CC2=C(C(=O)C1)C3=CC4=CC=CC=C4C=C3C=C2 |
| InChIKey | LVBDYVLCOBUBNZ-UHFFFAOYSA-N |
Product Overview
3,4-Dihydrobenz(a)anthracen-1(2H)-one (CAS 57652-74-1), with molecular formula C18H14O and molecular weight 246.10 g/mol. IUPAC: 3,4-dihydro-2H-benzo[a]anthracen-1-one.
Chemical Property Profile of 3,4-Dihydrobenz(a)anthracen-1(2H)-one
Property Insights of 3,4-Dihydrobenz(a)anthracen-1(2H)-one
The XLogP value of 4.3 indicates that 3,4-Dihydrobenz(a)anthracen-1(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3,4-Dihydrobenz(a)anthracen-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dihydrobenz(a)anthracen-1(2H)-one 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 3,4-Dihydrobenz(a)anthracen-1(2H)-one?
The CAS number of 3,4-Dihydrobenz(a)anthracen-1(2H)-one is 57652-74-1.
What is the molecular formula of 3,4-Dihydrobenz(a)anthracen-1(2H)-one?
The molecular formula of 3,4-Dihydrobenz(a)anthracen-1(2H)-one is C18H14O.
What is the molecular weight of 3,4-Dihydrobenz(a)anthracen-1(2H)-one?
The molecular weight of 3,4-Dihydrobenz(a)anthracen-1(2H)-one is 246.10 g/mol.
Where can I buy 3,4-Dihydrobenz(a)anthracen-1(2H)-one?
You can request a quote for 3,4-Dihydrobenz(a)anthracen-1(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydrobenz(a)anthracen-1(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydrobenz(a)anthracen-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.