EINECS 229-392-3
TL;DR: EINECS 229-392-3 (CAS 6505-58-4) is a chemical compound with molecular formula C36H16O2S2 and molecular weight 544.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-13-(8-oxo-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-13-ylidene)-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-8-one
Also Known As: EINECS 229-392-3, 2-(5-Oxobenzo(4,5)phenaleno(1,9-bc)thien-2(5H)-ylidene)benzo(4,5)phenaleno(1,9-bc)thiophen-5(2H)-one, 2-(5-oxobenzo[4,5]phenaleno[1,9-bc]thien-2(5H)-ylidenebenzo[4,5]phenaleno[1,9-bc]thiophen-5(2H)-one, Benzo(4,5)phenaleno(1,9-bc)thiophen-5(2H)-one, 2-(5-oxobenzo(4,5)phenaleno(1,9-bc)thien-2(5H)-ylidene)-, [.delta.2,2'(5H,5'H)-Bibenzo[4,5]phenaleno[1,9-bc]thiophene]-5,5'-dione
| Molecular Formula | C36H16O2S2 |
|---|---|
| Molecular Weight | 544.06 g/mol |
| LogP | 9.56998 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 544.05914 |
| Heavy Atoms | 40 |
| Complexity | 2400.9897 |
Chemical Identifiers
| CAS Number | 6505-58-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=C4C5=C(C=CC(=C35)C2=O)/C(=C\6/C7=C8C(=CC=C9C8=C(C=C7)C(=O)C1=CC=CC=C19)S6)/S4 |
Product Overview
EINECS 229-392-3 (CAS 6505-58-4), with molecular formula C36H16O2S2 and molecular weight 544.06 g/mol. IUPAC: (13E)-13-(8-oxo-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-13-ylidene)-14-thiapentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(17),2,4,6,9(18),10,12(19),15-octaen-8-one.
Chemical Property Profile of EINECS 229-392-3
Property Insights of EINECS 229-392-3
The XLogP value of 9.56998 indicates that EINECS 229-392-3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, EINECS 229-392-3 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 229-392-3 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 EINECS 229-392-3?
The CAS number of EINECS 229-392-3 is 6505-58-4.
What is the molecular formula of EINECS 229-392-3?
The molecular formula of EINECS 229-392-3 is C36H16O2S2.
What is the molecular weight of EINECS 229-392-3?
The molecular weight of EINECS 229-392-3 is 544.06 g/mol.
Where can I buy EINECS 229-392-3?
You can request a quote for EINECS 229-392-3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 229-392-3?
Yes, KEHONG BIO provides custom synthesis services for EINECS 229-392-3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.