RefChem:216230
TL;DR: RefChem:216230 (CAS 111915-71-0) is a chemical compound with molecular formula C16H31Cl3N6S3 and molecular weight 508.0838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]ethane-1,2-diamine;trihydrochloride
Also Known As: N,N',N''-Tris(5-methyl-delta(sup 2)-thiazolin-2-yl)diethylenetriamine trihydrochloride 3H2O, 1,2-Ethanediamine, N,N'-bis(4,5-dihydro-5-methyl-2-thiazolyl)-N-(2-((4,5-dihydro-5-methyl-2-thiazolyl)amino)ethyl)-, trihydrochloride, trihydrate, 5-Methyl-N,N-bis{2-[(5-methyl-1,3-thiazolidin-2-ylidene)amino]ethyl}-4,5-dihydro-1,3-thiazol-2-amine--hydrogen chloride (1/3), N,N'-bis(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-N'-[2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]ethyl]ethane-1,2-diamine trihydrochloride
Technical Specifications
| Molecular Formula | C16H31Cl3N6S3 |
| Molecular Weight | 508.0838 g/mol |
| XLogP | 3.2069 |
| Topological Polar Surface Area (TPSA) | 140.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.0838 Da |
| Heavy Atoms | 28 |
| Complexity | 516.0 |
| SMILES | CC1CN=C(S1)NCCN(CCNC2=NCC(S2)C)C3=NCC(S3)C.Cl.Cl.Cl |
| InChIKey | KBHNGEJCPLPCGU-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:216230
Property Insights of RefChem:216230
The XLogP value of 3.2069 indicates that RefChem:216230 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting RefChem:216230 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:216230 has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:216230?
The CAS number of RefChem:216230 is 111915-71-0.
What is the molecular formula of RefChem:216230?
The molecular formula of RefChem:216230 is C16H31Cl3N6S3.
What is the molecular weight of RefChem:216230?
The molecular weight of RefChem:216230 is 508.0838 g/mol.
Where can I buy RefChem:216230?
You can request a quote for RefChem:216230 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:216230?
Yes, CoreyChem provides custom synthesis services for RefChem:216230 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.