C31H21FN2OS
TL;DR: C31H21FN2OS (CAS 370081-69-9) is a chemical compound with molecular formula C31H21FN2OS and molecular weight 488.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-11-(4-fluorophenyl)-14-(naphthalen-1-ylmethylidene)-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)-7-(4-fluorophenyl)-10-(naphthalen-1-ylmethylidene)-5,7-dihydro-6H-benzo[h][1,3]thiazolo[2,3-b]quinazolin-9(10H)-one, (Z)-7-(4-fluorophenyl)-10-(naphthalen-1-ylmethylene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C31H21FN2OS |
|---|---|
| Molecular Weight | 488.14 g/mol |
| LogP | 5.611 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 488.13586 |
| Heavy Atoms | 36 |
| Complexity | 1873.5813 |
Chemical Identifiers
| CAS Number | 370081-69-9 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)F)C(=O)/C(=C/C6=CC=CC7=CC=CC=C76)/S4 |
Product Overview
C31H21FN2OS (CAS 370081-69-9), with molecular formula C31H21FN2OS and molecular weight 488.14 g/mol. IUPAC: (14Z)-11-(4-fluorophenyl)-14-(naphthalen-1-ylmethylidene)-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 C31H21FN2OS
Property Insights of C31H21FN2OS
The XLogP value of 5.611 indicates that C31H21FN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, C31H21FN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H21FN2OS 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 C31H21FN2OS?
The CAS number of C31H21FN2OS is 370081-69-9.
What is the molecular formula of C31H21FN2OS?
The molecular formula of C31H21FN2OS is C31H21FN2OS.
What is the molecular weight of C31H21FN2OS?
The molecular weight of C31H21FN2OS is 488.14 g/mol.
Where can I buy C31H21FN2OS?
You can request a quote for C31H21FN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H21FN2OS?
Yes, KEHONG BIO provides custom synthesis services for C31H21FN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.