RefChem:283615
TL;DR: RefChem:283615 (CAS 88655-36-1) is a chemical compound with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one
Also Known As: 4(1H)-Pyrimidinone, tetrahydro-1-(2-(3-methyl-4-(1-methylethoxy)phenyl)ethyl)-2-thioxo-, AE-848/31943005, Tetrahydro-1-(2-(3-methyl-4-(1-methylethoxy)phenyl)ethyl)-2-thioxo-4(1H)-pyrimidinone, 5,6-Dihydro-1-(4-isopropoxy-3-methylphenethyl)-2-thiouracil, 1-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one
| Molecular Formula | C16H22N2O2S |
|---|---|
| Molecular Weight | 306.14 g/mol |
| LogP | 2.43152 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.1402 |
| Heavy Atoms | 21 |
| Complexity | 543.07855 |
Chemical Identifiers
| CAS Number | 88655-36-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)CCN2CCC(=O)NC2=S)OC(C)C |
Product Overview
RefChem:283615 (CAS 88655-36-1), with molecular formula C16H22N2O2S and molecular weight 306.14 g/mol. IUPAC: 1-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1,3-diazinan-4-one.
Chemical Property Profile of RefChem:283615
Property Insights of RefChem:283615
The XLogP value of 2.43152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:283615. With a topological polar surface area (TPSA) of 41.57 Ų, RefChem:283615 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:283615 has 1 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:283615?
The CAS number of RefChem:283615 is 88655-36-1.
What is the molecular formula of RefChem:283615?
The molecular formula of RefChem:283615 is C16H22N2O2S.
What is the molecular weight of RefChem:283615?
The molecular weight of RefChem:283615 is 306.14 g/mol.
Where can I buy RefChem:283615?
You can request a quote for RefChem:283615 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:283615?
Yes, KEHONG BIO provides custom synthesis services for RefChem:283615 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.