RefChem:246925
TL;DR: RefChem:246925 (CAS 55416-91-6) is a chemical compound with molecular formula C13H24ClN5S and molecular weight 317.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine
Also Known As: 2-Dimethylamino-4-(2'-diethylamine)ethylamino-5-methylthio-6-chloropyrimidine, 6-Chloro-N4-(2-(diethylamino)ethyl)-N2,N2-dimethyl-5-(methylthio)-2,4-pyrimidinediamine, 2,4-Pyrimidinediamine, 6-chloro-N(sup 4)-(2-(diethylamino)ethyl)-N(sup 2),N(sup 2)-dimethyl-5-(methylthio)-, 6-chloro-4-N-(2-diethylaminoethyl)-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine, 6-Chloro-N~4~-[2-(diethylamino)ethyl]-N~2~,N~2~-dimethyl-5-(methylsulfanyl)pyrimidine-2,4-diamine
| Molecular Formula | C13H24ClN5S |
|---|---|
| Molecular Weight | 317.14 g/mol |
| LogP | 2.6716 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 317.1441 |
| Heavy Atoms | 20 |
| Complexity | 423.46768 |
Chemical Identifiers
| CAS Number | 55416-91-6 |
|---|---|
| SMILES | CCN(CC)CCNC1=C(C(=NC(=N1)N(C)C)Cl)SC |
Product Overview
RefChem:246925 (CAS 55416-91-6), with molecular formula C13H24ClN5S and molecular weight 317.14 g/mol. IUPAC: 6-chloro-4-N-[2-(diethylamino)ethyl]-2-N,2-N-dimethyl-5-methylsulfanylpyrimidine-2,4-diamine.
Chemical Property Profile of RefChem:246925
Property Insights of RefChem:246925
The XLogP value of 2.6716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:246925. With a topological polar surface area (TPSA) of 44.29 Ų, RefChem:246925 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:246925 has 1 hydrogen bond donor(s) and 6 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:246925?
The CAS number of RefChem:246925 is 55416-91-6.
What is the molecular formula of RefChem:246925?
The molecular formula of RefChem:246925 is C13H24ClN5S.
What is the molecular weight of RefChem:246925?
The molecular weight of RefChem:246925 is 317.14 g/mol.
Where can I buy RefChem:246925?
You can request a quote for RefChem:246925 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:246925?
Yes, KEHONG BIO provides custom synthesis services for RefChem:246925 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.