trans-Dibenz(a,j)acridine-5,6-dihydrodiol
TL;DR: trans-Dibenz(a,j)acridine-5,6-dihydrodiol (CAS 117019-82-6) is a chemical compound with molecular formula C21H15NO2 and molecular weight 313.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10S,11S)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaene-10,11-diol
Also Known As: trans-Dibenz(a,j)acridine-5,6-dihydrodiol, 5,6-dihydrodibenzo[a,j]acridine-5,6-diol, 5,6-Dihydrodibenz[a,j]acridine-5,6-diol, trans-5,6-Dihydro-dibenz(a,j)acridine-5,6-diol, (+-)-trans-5,6-Dihydroxy-5,6-dihydrodibenz(a,j)acridine
| Molecular Formula | C21H15NO2 |
|---|---|
| Molecular Weight | 313.11 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 313.1103 |
| Heavy Atoms | 24 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 117019-82-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5[C@@H]([C@H]4O)O |
| InChIKey | JKYQNBZDRDQRTD-SFTDATJTSA-N |
Product Overview
trans-Dibenz(a,j)acridine-5,6-dihydrodiol (CAS 117019-82-6), with molecular formula C21H15NO2 and molecular weight 313.11 g/mol. IUPAC: (10S,11S)-13-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,15,17,19,21-decaene-10,11-diol.
Chemical Property Profile of trans-Dibenz(a,j)acridine-5,6-dihydrodiol
Property Insights of trans-Dibenz(a,j)acridine-5,6-dihydrodiol
The XLogP value of 3.2 indicates that trans-Dibenz(a,j)acridine-5,6-dihydrodiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.4 Ų, trans-Dibenz(a,j)acridine-5,6-dihydrodiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-Dibenz(a,j)acridine-5,6-dihydrodiol has 2 hydrogen bond donor(s) and 3 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-Dibenz(a,j)acridine-5,6-dihydrodiol?
The CAS number of trans-Dibenz(a,j)acridine-5,6-dihydrodiol is 117019-82-6.
What is the molecular formula of trans-Dibenz(a,j)acridine-5,6-dihydrodiol?
The molecular formula of trans-Dibenz(a,j)acridine-5,6-dihydrodiol is C21H15NO2.
What is the molecular weight of trans-Dibenz(a,j)acridine-5,6-dihydrodiol?
The molecular weight of trans-Dibenz(a,j)acridine-5,6-dihydrodiol is 313.11 g/mol.
Where can I buy trans-Dibenz(a,j)acridine-5,6-dihydrodiol?
You can request a quote for trans-Dibenz(a,j)acridine-5,6-dihydrodiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-Dibenz(a,j)acridine-5,6-dihydrodiol?
Yes, KEHONG BIO provides custom synthesis services for trans-Dibenz(a,j)acridine-5,6-dihydrodiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.