二蒄
TL;DR: 二蒄 (CAS 98570-53-7) is a chemical compound with molecular formula C48H20 and molecular weight 596.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二蒄
pentadecacyclo[37.7.1.12,10.03,24.04,9.05,22.06,19.07,16.08,13.025,46.027,44.030,43.033,42.036,41.040,45]octatetraconta-1(46),2,4(9),5(22),6(19),7(16),8(13),10(48),11,14,17,20,23,25,27(44),28,30(43),31,33(42),34,36(41),37,39(47),40(45)-tetracosaene
Also Known As: DICORONYLENE, Dicoronene, Dicoronylen, Benzo[1,2,3-bc:4,5,6-b'c']dicoronene, 2,3-(Coronene-2,3-diyl)coronene
| Molecular Formula | C48H20 |
|---|---|
| Molecular Weight | 596.16 g/mol |
| LogP | 14.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 596.1565 |
| Heavy Atoms | 48 |
| Complexity | 1190.0 |
Chemical Identifiers
| CAS Number | 98570-53-7 |
|---|---|
| SMILES | C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=C7C8=CC9=C1C4=C(C=CC5=C4C4=C(C=C5)C=CC5=CC(=C8C1=C54)C1=C7C6=C3C(=C1)C=C2)C=C9 |
| InChIKey | QOPWDVCEMZLGPK-UHFFFAOYSA-N |
Product Overview
二蒄 (CAS 98570-53-7), with molecular formula C48H20 and molecular weight 596.16 g/mol. IUPAC: pentadecacyclo[37.7.1.12,10.03,24.04,9.05,22.06,19.07,16.08,13.025,46.027,44.030,43.033,42.036,41.040,45]octatetraconta-1(46),2,4(9),5(22),6(19),7(16),8(13),10(48),11,14,17,20,23,25,27(44),28,30(43),31,33(42),34,36(41),37,39(47),40(45)-tetracosaene.
Chemical Property Profile of 二蒄
Property Insights of 二蒄
The XLogP value of 14.4 indicates that 二蒄 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 二蒄 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二蒄 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 二蒄?
The CAS number of 二蒄 is 98570-53-7.
What is the molecular formula of 二蒄?
The molecular formula of 二蒄 is C48H20.
What is the molecular weight of 二蒄?
The molecular weight of 二蒄 is 596.16 g/mol.
Where can I buy 二蒄?
You can request a quote for 二蒄 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二蒄?
Yes, KEHONG BIO provides custom synthesis services for 二蒄 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.