C28H20N4O6S
TL;DR: C28H20N4O6S (CAS 370083-33-3) is a chemical compound with molecular formula C28H20N4O6S and molecular weight 540.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-14-[(4-methoxy-3-nitrophenyl)methylidene]-11-(3-nitrophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one
Also Known As: (Z)-10-(4-methoxy-3-nitrobenzylidene)-7-(3-nitrophenyl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C28H20N4O6S |
|---|---|
| Molecular Weight | 540.11 g/mol |
| LogP | 4.1437 |
| Topological Polar Surface Area | 129.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 540.11035 |
| Heavy Atoms | 39 |
| Complexity | 1905.4752 |
Chemical Identifiers
| CAS Number | 370083-33-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C\2/C(=O)N3C(C4=C(C5=CC=CC=C5CC4)N=C3S2)C6=CC(=CC=C6)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
C28H20N4O6S (CAS 370083-33-3), with molecular formula C28H20N4O6S and molecular weight 540.11 g/mol. IUPAC: (14Z)-14-[(4-methoxy-3-nitrophenyl)methylidene]-11-(3-nitrophenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,16-pentaen-13-one.
Chemical Property Profile of C28H20N4O6S
Property Insights of C28H20N4O6S
The XLogP value of 4.1437 indicates that C28H20N4O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.87 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H20N4O6S. Following Lipinski's Rule of Five, C28H20N4O6S has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H20N4O6S?
The CAS number of C28H20N4O6S is 370083-33-3.
What is the molecular formula of C28H20N4O6S?
The molecular formula of C28H20N4O6S is C28H20N4O6S.
What is the molecular weight of C28H20N4O6S?
The molecular weight of C28H20N4O6S is 540.11 g/mol.
Where can I buy C28H20N4O6S?
You can request a quote for C28H20N4O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H20N4O6S?
Yes, KEHONG BIO provides custom synthesis services for C28H20N4O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.