![4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine structure](/static/products/1011/101130-32-9.webp)
4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
TL;DR: 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine (CAS 101130-32-9) is a chemical compound with molecular formula C18H15ClN2S and molecular weight 326.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: 4-Bromo-1,2-Methylenedioxybenzene, 4-chloro-2-[2-phenylvinyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine, [1]Benzothieno[2,3-d]pyrimidine,4-chloro-5,6,7,8-tetrahydro-2-(2-phenylethenyl)-, (E)- (9CI), 4-chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C18H15ClN2S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 5.3939 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.06445 |
| Heavy Atoms | 22 |
| Complexity | 852.3997 |
Chemical Identifiers
| CAS Number | 101130-32-9 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)C=CC4=CC=CC=C4 |
Product Overview
4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine (CAS 101130-32-9), with molecular formula C18H15ClN2S and molecular weight 326.06 g/mol. IUPAC: 4-chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Property Insights of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
The XLogP value of 5.3939 indicates that 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine has 0 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 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The CAS number of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is 101130-32-9.
What is the molecular formula of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The molecular formula of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is C18H15ClN2S.
What is the molecular weight of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
The molecular weight of 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine is 326.06 g/mol.
Where can I buy 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
You can request a quote for 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(2-phenylethenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.