C31H28ClN3S
TL;DR: C31H28ClN3S (CAS 877804-40-5) is a chemical compound with molecular formula C31H28ClN3S and molecular weight 509.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-6-(4-chlorophenyl)-11-methyl-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
Also Known As: (9E)-3-(4-chlorophenyl)-7-methyl-9-(4-methylbenzylidene)-5-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine, (E)-3-(4-chlorophenyl)-7-methyl-9-(4-methylbenzylidene)-5-(p-tolyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C31H28ClN3S |
|---|---|
| Molecular Weight | 509.17 g/mol |
| LogP | 7.69804 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 509.16925 |
| Heavy Atoms | 36 |
| Complexity | 1430.6459 |
Chemical Identifiers
| CAS Number | 877804-40-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/2\CN(CC3=C2N=C4N(C3C5=CC=C(C=C5)C)C(=CS4)C6=CC=C(C=C6)Cl)C |
Product Overview
C31H28ClN3S (CAS 877804-40-5), with molecular formula C31H28ClN3S and molecular weight 509.17 g/mol. IUPAC: (13E)-6-(4-chlorophenyl)-11-methyl-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C31H28ClN3S
Property Insights of C31H28ClN3S
The XLogP value of 7.69804 indicates that C31H28ClN3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, C31H28ClN3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H28ClN3S 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 C31H28ClN3S?
The CAS number of C31H28ClN3S is 877804-40-5.
What is the molecular formula of C31H28ClN3S?
The molecular formula of C31H28ClN3S is C31H28ClN3S.
What is the molecular weight of C31H28ClN3S?
The molecular weight of C31H28ClN3S is 509.17 g/mol.
Where can I buy C31H28ClN3S?
You can request a quote for C31H28ClN3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H28ClN3S?
Yes, KEHONG BIO provides custom synthesis services for C31H28ClN3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.