RefChem:285640
TL;DR: RefChem:285640 (CAS 1146-08-3) is a chemical compound with molecular formula C12H22ClN3O2S and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
Also Known As: 4,6(1H,5H)-Pyrimidinedione, 5-butyl-5-(2-(dimethylamino)ethyl)dihydro-2-thioxo-, monohydrochloride, 5-butyl-5-(2-dimethylaminoethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione hydrochloride, 5-Butyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione--hydrogen chloride (1/1), RefChem:285640
| Molecular Formula | C12H22ClN3O2S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 1.0674 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.11212 |
| Heavy Atoms | 19 |
| Complexity | 340.88367 |
Chemical Identifiers
| CAS Number | 1146-08-3 |
|---|---|
| SMILES | CCCCC1(C(=O)NC(=S)NC1=O)CCN(C)C.Cl |
Product Overview
RefChem:285640 (CAS 1146-08-3), with molecular formula C12H22ClN3O2S and molecular weight 307.11 g/mol. IUPAC: 5-butyl-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride.
Chemical Property Profile of RefChem:285640
Property Insights of RefChem:285640
The XLogP value of 1.0674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:285640. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:285640. Following Lipinski's Rule of Five, RefChem:285640 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:285640?
The CAS number of RefChem:285640 is 1146-08-3.
What is the molecular formula of RefChem:285640?
The molecular formula of RefChem:285640 is C12H22ClN3O2S.
What is the molecular weight of RefChem:285640?
The molecular weight of RefChem:285640 is 307.11 g/mol.
Where can I buy RefChem:285640?
You can request a quote for RefChem:285640 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:285640?
Yes, KEHONG BIO provides custom synthesis services for RefChem:285640 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.