RefChem:285634
TL;DR: RefChem:285634 (CAS 1153-04-4) is a chemical compound with molecular formula C14H18ClN3O2S and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(dimethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride
Also Known As: 4,6(1H,5H)-Pyrimidinedione, 5-(2-(dimethylamino)ethyl)dihydro-5-phenyl-2-thioxo-, monohydrochloride, 5-(2-dimethylaminoethyl)-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Hydrochloride, 5-[2-(Dimethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione--hydrogen chloride (1/1), RefChem:285634
| Molecular Formula | C14H18ClN3O2S |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 0.8288 |
| Topological Polar Surface Area | 61.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0808 |
| Heavy Atoms | 21 |
| Complexity | 528.4099 |
Chemical Identifiers
| CAS Number | 1153-04-4 |
|---|---|
| SMILES | CN(C)CCC1(C(=O)NC(=S)NC1=O)C2=CC=CC=C2.Cl |
Product Overview
RefChem:285634 (CAS 1153-04-4), with molecular formula C14H18ClN3O2S and molecular weight 327.08 g/mol. IUPAC: 5-[2-(dimethylamino)ethyl]-5-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride.
Chemical Property Profile of RefChem:285634
Property Insights of RefChem:285634
The XLogP value of 0.8288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:285634. The TPSA of 61.44 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:285634. Following Lipinski's Rule of Five, RefChem:285634 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:285634?
The CAS number of RefChem:285634 is 1153-04-4.
What is the molecular formula of RefChem:285634?
The molecular formula of RefChem:285634 is C14H18ClN3O2S.
What is the molecular weight of RefChem:285634?
The molecular weight of RefChem:285634 is 327.08 g/mol.
Where can I buy RefChem:285634?
You can request a quote for RefChem:285634 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:285634?
Yes, KEHONG BIO provides custom synthesis services for RefChem:285634 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.