C31H29N3S
TL;DR: C31H29N3S (CAS 799827-52-4) is a chemical compound with molecular formula C31H29N3S and molecular weight 475.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-11-methyl-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-6-phenyl-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-phenyl-5-(p-tolyl)-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine, (9E)-7-methyl-9-(4-methylbenzylidene)-5-(4-methylphenyl)-3-phenyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C31H29N3S |
|---|---|
| Molecular Weight | 475.21 g/mol |
| LogP | 7.04464 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.20822 |
| Heavy Atoms | 35 |
| Complexity | 1379.4055 |
Chemical Identifiers
| CAS Number | 799827-52-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)/C=C/2\CN(CC3=C2N=C4N(C3C5=CC=C(C=C5)C)C(=CS4)C6=CC=CC=C6)C |
Product Overview
C31H29N3S (CAS 799827-52-4), with molecular formula C31H29N3S and molecular weight 475.21 g/mol. IUPAC: (13E)-11-methyl-8-(4-methylphenyl)-13-[(4-methylphenyl)methylidene]-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C31H29N3S
Property Insights of C31H29N3S
The XLogP value of 7.04464 indicates that C31H29N3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, C31H29N3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C31H29N3S 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 C31H29N3S?
The CAS number of C31H29N3S is 799827-52-4.
What is the molecular formula of C31H29N3S?
The molecular formula of C31H29N3S is C31H29N3S.
What is the molecular weight of C31H29N3S?
The molecular weight of C31H29N3S is 475.21 g/mol.
Where can I buy C31H29N3S?
You can request a quote for C31H29N3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H29N3S?
Yes, KEHONG BIO provides custom synthesis services for C31H29N3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.