1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)
TL;DR: 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) (CAS 55259-87-5) is a chemical compound with molecular formula C18H14N2OS2 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,6,10(15)-tetraen-8-one
Also Known As: 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H), 1-Phenyl-6,7,8,9-tetrahydro-5H-[1]benzothieno[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-5-one, 3-Phenyl-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,6,10(15)-tetraen-8-one
| Molecular Formula | C18H14N2OS2 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.05475 |
| Heavy Atoms | 23 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 55259-87-5 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(S2)N4C(=CSC4=NC3=O)C5=CC=CC=C5 |
| InChIKey | JBXCGHRPRILBLQ-UHFFFAOYSA-N |
Product Overview
1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) (CAS 55259-87-5), with molecular formula C18H14N2OS2 and molecular weight 338.05 g/mol. IUPAC: 3-phenyl-5,16-dithia-2,7-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,6,10(15)-tetraen-8-one.
Chemical Property Profile of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)
Property Insights of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)
The XLogP value of 4.5 indicates that 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H). Following Lipinski's Rule of Five, 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)?
The CAS number of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) is 55259-87-5.
What is the molecular formula of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)?
The molecular formula of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) is C18H14N2OS2.
What is the molecular weight of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)?
The molecular weight of 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) is 338.05 g/mol.
Where can I buy 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)?
You can request a quote for 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H)?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-6,7,8,9-tetrahydrobenzothienothiazolopyrimidin-5(H) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.