Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate
TL;DR: Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate (CAS 116047-36-0) is a chemical compound with molecular formula C30H20O2 and molecular weight 412.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 13-phenylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene-2-carboxylate
Also Known As: Me Pdbac, Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate, Methyl 7-phenyldibenz(a,j)anthrcene-14-carboxylate, Methyl 7-phenylbenzo[m]tetraphene-14-carboxylate, Dibenz(a,j)anthrcene-14-carboxylic acid, 7-phenyl-, methyl ester
| Molecular Formula | C30H20O2 |
|---|---|
| Molecular Weight | 412.15 g/mol |
| LogP | 7.753 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.14633 |
| Heavy Atoms | 32 |
| Complexity | 1566.8124 |
Chemical Identifiers
| CAS Number | 116047-36-0 |
|---|---|
| SMILES | COC(=O)C1=C2C(=C(C3=C1C4=CC=CC=C4C=C3)C5=CC=CC=C5)C=CC6=CC=CC=C62 |
Product Overview
Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate (CAS 116047-36-0), with molecular formula C30H20O2 and molecular weight 412.15 g/mol. IUPAC: methyl 13-phenylpentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene-2-carboxylate.
Chemical Property Profile of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate
Property Insights of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate
The XLogP value of 7.753 indicates that Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate?
The CAS number of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate is 116047-36-0.
What is the molecular formula of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate?
The molecular formula of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate is C30H20O2.
What is the molecular weight of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate?
The molecular weight of Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate is 412.15 g/mol.
Where can I buy Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate?
You can request a quote for Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-phenyldibenz(a,j)anthracene-14-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.