16-Butyl-6,8,15,17-tetrathia-7-azaheptacene
TL;DR: 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene (CAS 7226-55-3) is a chemical compound with molecular formula C29H21NS4 and molecular weight 511.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene
Also Known As: 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene, J1.823.725C, 16-Butylbisnaphtho[2',3':5,6][1,4]dithiino[2,3-b:2',3'-e]pyridine
| Molecular Formula | C29H21NS4 |
|---|---|
| Molecular Weight | 511.06 g/mol |
| LogP | 10.7138 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 511.0557 |
| Heavy Atoms | 34 |
| Complexity | 1779.148 |
Chemical Identifiers
| CAS Number | 7226-55-3 |
|---|---|
| SMILES | CCCCC1=C2C(=NC3=C1SC4=CC5=CC=CC=C5C=C4S3)SC6=CC7=CC=CC=C7C=C6S2 |
Product Overview
16-Butyl-6,8,15,17-tetrathia-7-azaheptacene (CAS 7226-55-3), with molecular formula C29H21NS4 and molecular weight 511.06 g/mol. IUPAC: 17-butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene.
Chemical Property Profile of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene
Property Insights of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene
The XLogP value of 10.7138 indicates that 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene?
The CAS number of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene is 7226-55-3.
What is the molecular formula of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene?
The molecular formula of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene is C29H21NS4.
What is the molecular weight of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene?
The molecular weight of 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene is 511.06 g/mol.
Where can I buy 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene?
You can request a quote for 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene?
Yes, KEHONG BIO provides custom synthesis services for 16-Butyl-6,8,15,17-tetrathia-7-azaheptacene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.