RefChem:285661
TL;DR: RefChem:285661 (CAS 1158-53-8) is a chemical compound with molecular formula C16H28ClN3O2S and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-pentan-2-yl-5-(2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
Also Known As: 4,6(1H,5H)-Pyrimidinedione, dihydro-5-(1-methylbutyl)-5-(2-(1-piperidinyl)ethyl)-2-thioxo-, monohydrochloride, 4,6-Dihydroxy-5-(pentan-2-yl)-5-[2-(piperidin-1-yl)ethyl]pyrimidine-2(5H)-thione--hydrogen chloride (1/1), 5-pentan-2-yl-5-(2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride, 5-pentan-2-yl-5-[2-(1-piperidyl)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione Hydrochloride, RefChem:285661
| Molecular Formula | C16H28ClN3O2S |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 2.2377 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.1591 |
| Heavy Atoms | 23 |
| Complexity | 432.6063 |
Chemical Identifiers
| CAS Number | 1158-53-8 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=S)NC1=O)CCN2CCCCC2.Cl |
Product Overview
RefChem:285661 (CAS 1158-53-8), with molecular formula C16H28ClN3O2S and molecular weight 361.16 g/mol. IUPAC: 5-pentan-2-yl-5-(2-piperidin-1-ylethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride.
Chemical Property Profile of RefChem:285661
Property Insights of RefChem:285661
The XLogP value of 2.2377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:285661. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:285661. Following Lipinski's Rule of Five, RefChem:285661 has 2 hydrogen bond donor(s) and 4 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:285661?
The CAS number of RefChem:285661 is 1158-53-8.
What is the molecular formula of RefChem:285661?
The molecular formula of RefChem:285661 is C16H28ClN3O2S.
What is the molecular weight of RefChem:285661?
The molecular weight of RefChem:285661 is 361.16 g/mol.
Where can I buy RefChem:285661?
You can request a quote for RefChem:285661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:285661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:285661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.