PTCDI-C13
TL;DR: PTCDI-C13 (CAS 95689-92-2) is a chemical compound with molecular formula C50H62N2O4 and molecular weight 754.47 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,18-di(tridecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
Also Known As: PTCDI-C13, PTCDI-C13H27, N,N'-DITRIDECYL-3,4,9,10-PERYLENETETRACARBOXYLIC DIIMIDE, N,N'-Ditridecylperylene-3,4,9,10-tetracarboxylic diimide, J1.202.215H
| Molecular Formula | C50H62N2O4 |
|---|---|
| Molecular Weight | 754.47 g/mol |
| LogP | 13.5512 |
| Topological Polar Surface Area | 74.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 24 |
| Exact Mass | 754.47095 |
| Heavy Atoms | 56 |
| Complexity | 1925.5165 |
Chemical Identifiers
| CAS Number | 95689-92-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C7C6=C(C=C5)C(=O)N(C7=O)CCCCCCCCCCCCC)C1=O |
Product Overview
PTCDI-C13 (CAS 95689-92-2), with molecular formula C50H62N2O4 and molecular weight 754.47 g/mol. IUPAC: 7,18-di(tridecyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.
Chemical Property Profile of PTCDI-C13
Property Insights of PTCDI-C13
The XLogP value of 13.5512 indicates that PTCDI-C13 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.76 Ų falls within the moderate polarity range, balancing permeability and solubility for PTCDI-C13. Following Lipinski's Rule of Five, PTCDI-C13 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of PTCDI-C13?
The CAS number of PTCDI-C13 is 95689-92-2.
What is the molecular formula of PTCDI-C13?
The molecular formula of PTCDI-C13 is C50H62N2O4.
What is the molecular weight of PTCDI-C13?
The molecular weight of PTCDI-C13 is 754.47 g/mol.
Where can I buy PTCDI-C13?
You can request a quote for PTCDI-C13 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PTCDI-C13?
Yes, KEHONG BIO provides custom synthesis services for PTCDI-C13 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.