5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide
TL;DR: 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide (CAS 86346-98-7) is a chemical compound with molecular formula C21H23BrN2O3S and molecular weight 462.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide
Also Known As: 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide, 3-(1,3-benzodioxol-5-yl)-2-phenethyl-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol hydrobromide, 3-(2H-1,3-Benzodioxol-5-yl)-2-(2-phenylethyl)-2,3,6,7-tetrahydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ol--hydrogen bromide (1/1), 9-benzo[1,3]dioxol-5-yl-8-phenethyl-7-thia-1,5-diazabicyclo[4.3.0]non-5-en-9-ol Hydrobromide, RefChem:305851
| Molecular Formula | C21H23BrN2O3S |
|---|---|
| Molecular Weight | 462.06 g/mol |
| LogP | 3.9482 |
| Topological Polar Surface Area | 54.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.06128 |
| Heavy Atoms | 28 |
| Complexity | 879.20935 |
Chemical Identifiers
| CAS Number | 86346-98-7 |
|---|---|
| SMILES | C1CN=C2N(C1)C(C(S2)CCC3=CC=CC=C3)(C4=CC5=C(C=C4)OCO5)O.Br |
Product Overview
5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide (CAS 86346-98-7), with molecular formula C21H23BrN2O3S and molecular weight 462.06 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-2-(2-phenylethyl)-2,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]pyrimidin-3-ol;hydrobromide.
Chemical Property Profile of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide
Property Insights of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide
The XLogP value of 3.9482 indicates that 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.29 Ų, 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide has 1 hydrogen bond donor(s) and 6 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 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide?
The CAS number of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide is 86346-98-7.
What is the molecular formula of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide?
The molecular formula of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide is C21H23BrN2O3S.
What is the molecular weight of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide?
The molecular weight of 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide is 462.06 g/mol.
Where can I buy 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide?
You can request a quote for 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 5H-Thiazolo(3,2-a)pyrimidin-3-ol, 3-(1,3-benzodioxol-5-yl)-2,3,6,7-tetrahydro-2-(2-phenylethyl)-, monohydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.