C28H18ClN3O5S
TL;DR: C28H18ClN3O5S (CAS 444088-88-4) is a chemical compound with molecular formula C28H18ClN3O5S and molecular weight 543.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-11-(2-chlorophenyl)-14-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-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: A3989/0169933, (Z)-7-(2-chlorophenyl)-10-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one, 7-(2-chlorophenyl)-10-({6-nitro-1,3-benzodioxol-5-yl}methylene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, (10Z)-7-(2-chlorophenyl)-10-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, 7-(2-CHLOROPHENYL)-10-[(Z)-1-(6-NITRO-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-5,7-DIHYDRO-6H-BENZO[H][1,3]THIAZOLO[2,3-B]QUINAZOLIN-9-ONE
| Molecular Formula | C28H18ClN3O5S |
|---|---|
| Molecular Weight | 543.07 g/mol |
| LogP | 4.609 |
| Topological Polar Surface Area | 95.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 543.06555 |
| Heavy Atoms | 38 |
| Complexity | 1891.0564 |
Chemical Identifiers
| CAS Number | 444088-88-4 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CC=C5Cl)C(=O)/C(=C/C6=CC7=C(C=C6[N+](=O)[O-])OCO7)/S4 |
Product Overview
C28H18ClN3O5S (CAS 444088-88-4), with molecular formula C28H18ClN3O5S and molecular weight 543.07 g/mol. IUPAC: (14Z)-11-(2-chlorophenyl)-14-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-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 C28H18ClN3O5S
Property Insights of C28H18ClN3O5S
The XLogP value of 4.609 indicates that C28H18ClN3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.96 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H18ClN3O5S. Following Lipinski's Rule of Five, C28H18ClN3O5S has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C28H18ClN3O5S?
The CAS number of C28H18ClN3O5S is 444088-88-4.
What is the molecular formula of C28H18ClN3O5S?
The molecular formula of C28H18ClN3O5S is C28H18ClN3O5S.
What is the molecular weight of C28H18ClN3O5S?
The molecular weight of C28H18ClN3O5S is 543.07 g/mol.
Where can I buy C28H18ClN3O5S?
You can request a quote for C28H18ClN3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H18ClN3O5S?
Yes, KEHONG BIO provides custom synthesis services for C28H18ClN3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.