RefChem:1049150
TL;DR: RefChem:1049150 (CAS 135718-63-7) is a chemical compound with molecular formula C23H20FN3S2 and molecular weight 421.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione
Also Known As: (1)Benzothieno(2,3-d)pyrimidine-2(1H)-thione, 3,4,5,6,7,8-hexahydro-3-(((4-fluorophenyl)methylene)amino)-4-phenyl-, 3,4,5,6,7,8-Hexahydro-3-(p-fluorobenzylideneamino)-4-phenyl[1]benzothieno[2,3-d]pyrimidine-2-thiol, 3,4,5,6,7,8-Hexahydro-4-phenyl-3-(4-fluorobenzylideneamino)[1]benzothieno[2,3-d]pyrimidine-2(1H)-thione, 4-{[(4-fluorophenyl)methylidene]amino}-3-phenyl-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-5-thione, RefChem:1049150
| Molecular Formula | C23H20FN3S2 |
|---|---|
| Molecular Weight | 421.11 g/mol |
| LogP | 5.9019 |
| Topological Polar Surface Area | 27.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 421.10828 |
| Heavy Atoms | 29 |
| Complexity | 1073.5073 |
Chemical Identifiers
| CAS Number | 135718-63-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)/N=C/C5=CC=C(C=C5)F |
Product Overview
RefChem:1049150 (CAS 135718-63-7), with molecular formula C23H20FN3S2 and molecular weight 421.11 g/mol. IUPAC: 3-[(E)-(4-fluorophenyl)methylideneamino]-4-phenyl-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidine-2-thione.
Chemical Property Profile of RefChem:1049150
Property Insights of RefChem:1049150
The XLogP value of 5.9019 indicates that RefChem:1049150 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.63 Ų, RefChem:1049150 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1049150 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1049150?
The CAS number of RefChem:1049150 is 135718-63-7.
What is the molecular formula of RefChem:1049150?
The molecular formula of RefChem:1049150 is C23H20FN3S2.
What is the molecular weight of RefChem:1049150?
The molecular weight of RefChem:1049150 is 421.11 g/mol.
Where can I buy RefChem:1049150?
You can request a quote for RefChem:1049150 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1049150?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1049150 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.