C29H22Cl2FN3S
TL;DR: C29H22Cl2FN3S (CAS 799780-67-9) is a chemical compound with molecular formula C29H22Cl2FN3S and molecular weight 533.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-8-(4-chlorophenyl)-13-[(4-chlorophenyl)methylidene]-6-(4-fluorophenyl)-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
Also Known As: (9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine, (E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C29H22Cl2FN3S |
|---|---|
| Molecular Weight | 533.09 g/mol |
| LogP | 7.8737 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 533.08954 |
| Heavy Atoms | 36 |
| Complexity | 1441.3445 |
Chemical Identifiers
| CAS Number | 799780-67-9 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC=C(C=C2)Cl)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=C(C=C5)F)C6=CC=C(C=C6)Cl |
Product Overview
C29H22Cl2FN3S (CAS 799780-67-9), with molecular formula C29H22Cl2FN3S and molecular weight 533.09 g/mol. IUPAC: (13E)-8-(4-chlorophenyl)-13-[(4-chlorophenyl)methylidene]-6-(4-fluorophenyl)-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C29H22Cl2FN3S
Property Insights of C29H22Cl2FN3S
The XLogP value of 7.8737 indicates that C29H22Cl2FN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, C29H22Cl2FN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H22Cl2FN3S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H22Cl2FN3S?
The CAS number of C29H22Cl2FN3S is 799780-67-9.
What is the molecular formula of C29H22Cl2FN3S?
The molecular formula of C29H22Cl2FN3S is C29H22Cl2FN3S.
What is the molecular weight of C29H22Cl2FN3S?
The molecular weight of C29H22Cl2FN3S is 533.09 g/mol.
Where can I buy C29H22Cl2FN3S?
You can request a quote for C29H22Cl2FN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H22Cl2FN3S?
Yes, KEHONG BIO provides custom synthesis services for C29H22Cl2FN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.