C33H26FN3OS
TL;DR: C33H26FN3OS (CAS 401580-63-0) is a chemical compound with molecular formula C33H26FN3OS and molecular weight 531.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-14-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-11-phenyl-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: (10Z)-10-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-7-phenyl-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, (Z)-10-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-7-phenyl-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C33H26FN3OS |
|---|---|
| Molecular Weight | 531.18 g/mol |
| LogP | 5.86534 |
| Topological Polar Surface Area | 39.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.17804 |
| Heavy Atoms | 39 |
| Complexity | 1960.0387 |
Chemical Identifiers
| CAS Number | 401580-63-0 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=O)N4C(C5=C(C6=CC=CC=C6CC5)N=C4S3)C7=CC=CC=C7 |
Product Overview
C33H26FN3OS (CAS 401580-63-0), with molecular formula C33H26FN3OS and molecular weight 531.18 g/mol. IUPAC: (14Z)-14-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-11-phenyl-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 C33H26FN3OS
Property Insights of C33H26FN3OS
The XLogP value of 5.86534 indicates that C33H26FN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.29 Ų, C33H26FN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C33H26FN3OS has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C33H26FN3OS?
The CAS number of C33H26FN3OS is 401580-63-0.
What is the molecular formula of C33H26FN3OS?
The molecular formula of C33H26FN3OS is C33H26FN3OS.
What is the molecular weight of C33H26FN3OS?
The molecular weight of C33H26FN3OS is 531.18 g/mol.
Where can I buy C33H26FN3OS?
You can request a quote for C33H26FN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C33H26FN3OS?
Yes, KEHONG BIO provides custom synthesis services for C33H26FN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.