C32H31N3S
TL;DR: C32H31N3S (CAS 877802-79-4) is a chemical compound with molecular formula C32H31N3S and molecular weight 489.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-11-methyl-6,8-bis(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: (E)-7-methyl-9-(4-methylbenzylidene)-3,5-di-p-tolyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C32H31N3S |
|---|---|
| Molecular Weight | 489.22 g/mol |
| LogP | 7.35306 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 489.22388 |
| Heavy Atoms | 36 |
| Complexity | 1424.226 |
Chemical Identifiers
| CAS Number | 877802-79-4 |
|---|---|
| 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)C)C |
Product Overview
C32H31N3S (CAS 877802-79-4), with molecular formula C32H31N3S and molecular weight 489.22 g/mol. IUPAC: (13E)-11-methyl-6,8-bis(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 C32H31N3S
Property Insights of C32H31N3S
The XLogP value of 7.35306 indicates that C32H31N3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, C32H31N3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C32H31N3S 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 C32H31N3S?
The CAS number of C32H31N3S is 877802-79-4.
What is the molecular formula of C32H31N3S?
The molecular formula of C32H31N3S is C32H31N3S.
What is the molecular weight of C32H31N3S?
The molecular weight of C32H31N3S is 489.22 g/mol.
Where can I buy C32H31N3S?
You can request a quote for C32H31N3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C32H31N3S?
Yes, KEHONG BIO provides custom synthesis services for C32H31N3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.