C31H21ClN2OS
TL;DR: C31H21ClN2OS (CAS 710298-22-9) is a chemical compound with molecular formula C31H21ClN2OS and molecular weight 504.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-11-(2-chlorophenyl)-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: (Z)-7-(2-chlorophenyl)-10-(naphthalen-1-ylmethylene)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C31H21ClN2OS |
|---|---|
| Molecular Weight | 504.11 g/mol |
| LogP | 6.1253 |
| Topological Polar Surface Area | 34.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 504.10632 |
| Heavy Atoms | 36 |
| Complexity | 1890.8313 |
Chemical Identifiers
| CAS Number | 710298-22-9 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=CC=C5Cl)C(=O)/C(=C/C6=CC=CC7=CC=CC=C76)/S4 |
Product Overview
C31H21ClN2OS (CAS 710298-22-9), with molecular formula C31H21ClN2OS and molecular weight 504.11 g/mol. IUPAC: (14Z)-11-(2-chlorophenyl)-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 C31H21ClN2OS
Property Insights of C31H21ClN2OS
The XLogP value of 6.1253 indicates that C31H21ClN2OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.36 Ų, C31H21ClN2OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H21ClN2OS 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 C31H21ClN2OS?
The CAS number of C31H21ClN2OS is 710298-22-9.
What is the molecular formula of C31H21ClN2OS?
The molecular formula of C31H21ClN2OS is C31H21ClN2OS.
What is the molecular weight of C31H21ClN2OS?
The molecular weight of C31H21ClN2OS is 504.11 g/mol.
Where can I buy C31H21ClN2OS?
You can request a quote for C31H21ClN2OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H21ClN2OS?
Yes, KEHONG BIO provides custom synthesis services for C31H21ClN2OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.