C30H25Cl2N3OS
TL;DR: C30H25Cl2N3OS (CAS 799800-92-3) is a chemical compound with molecular formula C30H25Cl2N3OS and molecular weight 545.11 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-methoxyphenyl)-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
Also Known As: (E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine, (9E)-9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine, 4-{5-(4-CHLOROPHENYL)-9-[(E)-1-(4-CHLOROPHENYL)METHYLIDENE]-7-METHYL-6,7,8,9-TETRAHYDRO-5H-PYRIDO[4,3-D][1,3]THIAZOLO[3,2-A]PYRIMIDIN-3-YL}PHENYL METHYL ETHER
| Molecular Formula | C30H25Cl2N3OS |
|---|---|
| Molecular Weight | 545.11 g/mol |
| LogP | 7.7432 |
| Topological Polar Surface Area | 28.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 545.10956 |
| Heavy Atoms | 37 |
| Complexity | 1458.171 |
Chemical Identifiers
| CAS Number | 799800-92-3 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC=C(C=C2)Cl)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)Cl |
Product Overview
C30H25Cl2N3OS (CAS 799800-92-3), with molecular formula C30H25Cl2N3OS and molecular weight 545.11 g/mol. IUPAC: (13E)-8-(4-chlorophenyl)-13-[(4-chlorophenyl)methylidene]-6-(4-methoxyphenyl)-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C30H25Cl2N3OS
Property Insights of C30H25Cl2N3OS
The XLogP value of 7.7432 indicates that C30H25Cl2N3OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.07 Ų, C30H25Cl2N3OS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C30H25Cl2N3OS has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C30H25Cl2N3OS?
The CAS number of C30H25Cl2N3OS is 799800-92-3.
What is the molecular formula of C30H25Cl2N3OS?
The molecular formula of C30H25Cl2N3OS is C30H25Cl2N3OS.
What is the molecular weight of C30H25Cl2N3OS?
The molecular weight of C30H25Cl2N3OS is 545.11 g/mol.
Where can I buy C30H25Cl2N3OS?
You can request a quote for C30H25Cl2N3OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H25Cl2N3OS?
Yes, KEHONG BIO provides custom synthesis services for C30H25Cl2N3OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.