C29H23F2N3S
TL;DR: C29H23F2N3S (CAS 799807-40-2) is a chemical compound with molecular formula C29H23F2N3S and molecular weight 483.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13E)-8-(4-fluorophenyl)-13-[(4-fluorophenyl)methylidene]-11-methyl-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene
Also Known As: (E)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d]thiazolo[3,2-a]pyrimidine, (9E)-9-(4-fluorobenzylidene)-5-(4-fluorophenyl)-7-methyl-3-phenyl-6,7,8,9-tetrahydro-5H-pyrido[4,3-d][1,3]thiazolo[3,2-a]pyrimidine
| Molecular Formula | C29H23F2N3S |
|---|---|
| Molecular Weight | 483.16 g/mol |
| LogP | 6.706 |
| Topological Polar Surface Area | 18.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 483.15808 |
| Heavy Atoms | 35 |
| Complexity | 1390.1041 |
Chemical Identifiers
| CAS Number | 799807-40-2 |
|---|---|
| SMILES | CN1C/C(=C\C2=CC=C(C=C2)F)/C3=C(C1)C(N4C(=CSC4=N3)C5=CC=CC=C5)C6=CC=C(C=C6)F |
Product Overview
C29H23F2N3S (CAS 799807-40-2), with molecular formula C29H23F2N3S and molecular weight 483.16 g/mol. IUPAC: (13E)-8-(4-fluorophenyl)-13-[(4-fluorophenyl)methylidene]-11-methyl-6-phenyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2,5-triene.
Chemical Property Profile of C29H23F2N3S
Property Insights of C29H23F2N3S
The XLogP value of 6.706 indicates that C29H23F2N3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.84 Ų, C29H23F2N3S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C29H23F2N3S 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 C29H23F2N3S?
The CAS number of C29H23F2N3S is 799807-40-2.
What is the molecular formula of C29H23F2N3S?
The molecular formula of C29H23F2N3S is C29H23F2N3S.
What is the molecular weight of C29H23F2N3S?
The molecular weight of C29H23F2N3S is 483.16 g/mol.
Where can I buy C29H23F2N3S?
You can request a quote for C29H23F2N3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H23F2N3S?
Yes, KEHONG BIO provides custom synthesis services for C29H23F2N3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.