RefChem:346500
TL;DR: RefChem:346500 (CAS 55416-99-4) is a chemical compound with molecular formula C14H24ClN5O2S and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-chloro-6-[2-(dimethylamino)ethylamino]-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate
Also Known As: Ethyl N-(4-chloro-6-(2-dimethylaminoethylamino)-5-(methylthio)-2-pyrimidinyl)-N-methylglycine, Glycine, N-(4-chloro-6-((2-(dimethylamino)ethyl)amino)-5-(methylthio)-2-pyrimidinyl)-N-methyl-, ethyl ester, ethyl 2-[[4-chloro-6-(2-dimethylaminoethylamino)-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate, Ethyl N-[4-chloro-6-{[2-(dimethylamino)ethyl]amino}-5-(methylsulfanyl)pyrimidin-2-yl]-N-methylglycinate, RefChem:346500
| Molecular Formula | C14H24ClN5O2S |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 1.8247 |
| Topological Polar Surface Area | 70.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.1339 |
| Heavy Atoms | 23 |
| Complexity | 530.1342 |
Chemical Identifiers
| CAS Number | 55416-99-4 |
|---|---|
| SMILES | CCOC(=O)CN(C)C1=NC(=C(C(=N1)Cl)SC)NCCN(C)C |
Product Overview
RefChem:346500 (CAS 55416-99-4), with molecular formula C14H24ClN5O2S and molecular weight 361.13 g/mol. IUPAC: ethyl 2-[[4-chloro-6-[2-(dimethylamino)ethylamino]-5-methylsulfanylpyrimidin-2-yl]-methylamino]acetate.
Chemical Property Profile of RefChem:346500
Property Insights of RefChem:346500
The XLogP value of 1.8247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:346500. The TPSA of 70.59 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:346500. Following Lipinski's Rule of Five, RefChem:346500 has 1 hydrogen bond donor(s) and 8 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:346500?
The CAS number of RefChem:346500 is 55416-99-4.
What is the molecular formula of RefChem:346500?
The molecular formula of RefChem:346500 is C14H24ClN5O2S.
What is the molecular weight of RefChem:346500?
The molecular weight of RefChem:346500 is 361.13 g/mol.
Where can I buy RefChem:346500?
You can request a quote for RefChem:346500 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:346500?
Yes, KEHONG BIO provides custom synthesis services for RefChem:346500 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.