trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol
TL;DR: trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol (CAS 7781-33-1) is a chemical compound with molecular formula C24H16O2 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(12S,13S)-hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9(14),10,15,17,19,21-undecaene-12,13-diol
Also Known As: KST-1A8198, trans-Benz(a,e)fluoranthene-12,13-dihydrodiol, (1s,2s)-1,2-dihydroindeno[1,2,3-gh]tetraphene-1,2-diol, trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol, 1,2-Dihydroindeno[1,2,3-gh]tetraphene-1,2-diol
| Molecular Formula | C24H16O2 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 336.11502 |
| Heavy Atoms | 26 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 7781-33-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=C5C=C[C@@H]([C@H]6O)O |
| InChIKey | FWXWCFAETRJJCO-URXFXBBRSA-N |
Product Overview
trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol (CAS 7781-33-1), with molecular formula C24H16O2 and molecular weight 336.12 g/mol. IUPAC: (12S,13S)-hexacyclo[14.7.1.02,7.08,24.09,14.017,22]tetracosa-1(23),2,4,6,8(24),9(14),10,15,17,19,21-undecaene-12,13-diol.
Chemical Property Profile of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol
Property Insights of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol
The XLogP value of 4.6 indicates that trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol has 2 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 trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol?
The CAS number of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol is 7781-33-1.
What is the molecular formula of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol?
The molecular formula of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol is C24H16O2.
What is the molecular weight of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol?
The molecular weight of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol is 336.12 g/mol.
Where can I buy trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol?
You can request a quote for trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.