C31H28ClN3O2S
TL;DR: C31H28ClN3O2S (CAS 799809-97-5) is a chemical compound with molecular formula C31H28ClN3O2S and molecular weight 541.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-6-(4-chlorophenyl)-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
Also Known As: (E)-3-(4-chlorophenyl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine, (9E)-3-(4-chlorophenyl)-9-(4-methoxybenzylidene)-5-(4-methoxyphenyl)-7-methyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C31H28ClN3O2S |
|---|---|
| Molecular Weight | 541.16 g/mol |
| LogP | 7.0984 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 541.15906 |
| Heavy Atoms | 38 |
| Complexity | 1475.014 |
Chemical Identifiers
| CAS Number | 799809-97-5 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC=C(C=C2)OC)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC |
Product Overview
C31H28ClN3O2S (CAS 799809-97-5), with molecular formula C31H28ClN3O2S and molecular weight 541.16 g/mol. IUPAC: (13E)-6-(4-chlorophenyl)-8-(4-methoxyphenyl)-13-[(4-methoxyphenyl)methylidene]-11-methyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C31H28ClN3O2S
Property Insights of C31H28ClN3O2S
The XLogP value of 7.0984 indicates that C31H28ClN3O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, C31H28ClN3O2S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H28ClN3O2S has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C31H28ClN3O2S?
The CAS number of C31H28ClN3O2S is 799809-97-5.
What is the molecular formula of C31H28ClN3O2S?
The molecular formula of C31H28ClN3O2S is C31H28ClN3O2S.
What is the molecular weight of C31H28ClN3O2S?
The molecular weight of C31H28ClN3O2S is 541.16 g/mol.
Where can I buy C31H28ClN3O2S?
You can request a quote for C31H28ClN3O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H28ClN3O2S?
Yes, KEHONG BIO provides custom synthesis services for C31H28ClN3O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.