C29H20ClN3OS
TL;DR: C29H20ClN3OS (CAS 368846-07-5) is a chemical compound with molecular formula C29H20ClN3OS and molecular weight 493.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(14Z)-11-(4-chlorophenyl)-14-(1H-indol-3-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)-10-((1H-indol-3-yl)methylene)-7-(4-chlorophenyl)-7,10-dihydro-5H-benzo[h]thiazolo[2,3-b]quinazolin-9(6H)-one
| Molecular Formula | C29H20ClN3OS |
|---|---|
| Molecular Weight | 493.10 g/mol |
| LogP | 5.4534 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 493.10156 |
| Heavy Atoms | 35 |
| Complexity | 1839.3939 |
Chemical Identifiers
| CAS Number | 368846-07-5 |
|---|---|
| SMILES | C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)Cl)C(=O)/C(=C/C6=CNC7=CC=CC=C76)/S4 |
Product Overview
C29H20ClN3OS (CAS 368846-07-5), with molecular formula C29H20ClN3OS and molecular weight 493.10 g/mol. IUPAC: (14Z)-11-(4-chlorophenyl)-14-(1H-indol-3-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 C29H20ClN3OS
Property Insights of C29H20ClN3OS
The XLogP value of 5.4534 indicates that C29H20ClN3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, C29H20ClN3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H20ClN3OS has 1 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 C29H20ClN3OS?
The CAS number of C29H20ClN3OS is 368846-07-5.
What is the molecular formula of C29H20ClN3OS?
The molecular formula of C29H20ClN3OS is C29H20ClN3OS.
What is the molecular weight of C29H20ClN3OS?
The molecular weight of C29H20ClN3OS is 493.10 g/mol.
Where can I buy C29H20ClN3OS?
You can request a quote for C29H20ClN3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H20ClN3OS?
Yes, KEHONG BIO provides custom synthesis services for C29H20ClN3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.