1,4-Dimethyltriptycene
TL;DR: 1,4-Dimethyltriptycene (CAS 17417-17-3) is a chemical compound with molecular formula C22H18 and molecular weight 282.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
Also Known As: 1,4-dimethyltriptycene, BAS 00399108, 9,10[1',2']-Benzenoanthracene, 9,10-dihydro-1,4-dimethyl- (e, 3,6-dimethylhexacyclo[6.6.5.1<15,19>.0<1,18>.0<2,7>.0<9,14>]icosa-2,4,6,9,11,1 3,15,17,19-nonaene, 3,6-dimethylpentacyclo[6.6.6.0^{2,7}.0^{9,14}.0^{15,20}]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene
| Molecular Formula | C22H18 |
|---|---|
| Molecular Weight | 282.14 g/mol |
| LogP | 5.29064 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 282.14084 |
| Heavy Atoms | 22 |
| Complexity | 794.5715 |
Chemical Identifiers
| CAS Number | 17417-17-3 |
|---|---|
| SMILES | CC1=C2C3C4=CC=CC=C4C(C2=C(C=C1)C)C5=CC=CC=C35 |
Product Overview
1,4-Dimethyltriptycene (CAS 17417-17-3), with molecular formula C22H18 and molecular weight 282.14 g/mol. IUPAC: 3,6-dimethylpentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene.
Chemical Property Profile of 1,4-Dimethyltriptycene
Property Insights of 1,4-Dimethyltriptycene
The XLogP value of 5.29064 indicates that 1,4-Dimethyltriptycene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dimethyltriptycene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethyltriptycene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Dimethyltriptycene?
The CAS number of 1,4-Dimethyltriptycene is 17417-17-3.
What is the molecular formula of 1,4-Dimethyltriptycene?
The molecular formula of 1,4-Dimethyltriptycene is C22H18.
What is the molecular weight of 1,4-Dimethyltriptycene?
The molecular weight of 1,4-Dimethyltriptycene is 282.14 g/mol.
Where can I buy 1,4-Dimethyltriptycene?
You can request a quote for 1,4-Dimethyltriptycene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyltriptycene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyltriptycene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.