RefChem:1071566
TL;DR: RefChem:1071566 (CAS 39609-25-1) is a chemical compound with molecular formula C15H23ClN2OS and molecular weight 314.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-3,4,6,6-tetramethyl-5H-pyrimidin-4-ol;hydrochloride
Also Known As: 2-Benzylthio-3,4,6,6-tetramethyl-3,4,5,6-tetrahydro-4-pyrimidinol hydrochloride, 4-Pyrimidinol, 3,4,5,6-tetrahydro-2-benzylthio-3,4,6,6-tetramethyl-, hydrochloride, 2-(benzylsulfanyl)-3,4,6,6-tetramethyl-3,4,5,6-tetrahydropyrimidin-4-ol hydrochloride(1:1), 2-benzylsulfanyl-3,4,6,6-tetramethyl-5H-pyrimidin-4-ol hydrochloride, 2-benzylsulfanyl-3,4,6,6-tetramethyl-5H-pyrimidin-4-ol,hydrochloride
| Molecular Formula | C15H23ClN2OS |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.5202 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12195 |
| Heavy Atoms | 20 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 39609-25-1 |
|---|---|
| SMILES | CC1(CC(N(C(=N1)SCC2=CC=CC=C2)C)(C)O)C.Cl |
| InChIKey | YBBRWNBWILTGLE-UHFFFAOYSA-N |
Product Overview
RefChem:1071566 (CAS 39609-25-1), with molecular formula C15H23ClN2OS and molecular weight 314.12 g/mol. IUPAC: 2-benzylsulfanyl-3,4,6,6-tetramethyl-5H-pyrimidin-4-ol;hydrochloride.
Chemical Property Profile of RefChem:1071566
Property Insights of RefChem:1071566
The XLogP value of 3.5202 indicates that RefChem:1071566 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1071566. Following Lipinski's Rule of Five, RefChem:1071566 has 2 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 RefChem:1071566?
The CAS number of RefChem:1071566 is 39609-25-1.
What is the molecular formula of RefChem:1071566?
The molecular formula of RefChem:1071566 is C15H23ClN2OS.
What is the molecular weight of RefChem:1071566?
The molecular weight of RefChem:1071566 is 314.12 g/mol.
Where can I buy RefChem:1071566?
You can request a quote for RefChem:1071566 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071566?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071566 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.