RefChem:1052055
TL;DR: RefChem:1052055 (CAS 115370-89-3) is a chemical compound with molecular formula C12H14ClN5S and molecular weight 295.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-butan-2-ylideneamino]-4-(3-chlorophenyl)-5-imino-1,2,4-thiadiazol-3-amine
Also Known As: 1,2,4-Thiadiazolidin-3-one, 4-(3-chlorophenyl)-5-imino-, (1-methylpropylidene)hydrazone, 4-(3-Chlorophenyl)-5-imino-1,2,4-thiadiazolidin-3-one (1-methylpropylidene)hydrazone, RefChem:1052055
| Molecular Formula | C12H14ClN5S |
|---|---|
| Molecular Weight | 295.07 g/mol |
| LogP | 3.26447 |
| Topological Polar Surface Area | 66.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.06586 |
| Heavy Atoms | 19 |
| Complexity | 658.1345 |
Chemical Identifiers
| CAS Number | 115370-89-3 |
|---|---|
| SMILES | CC/C(=N/NC1=NSC(=N)N1C2=CC(=CC=C2)Cl)/C |
Product Overview
RefChem:1052055 (CAS 115370-89-3), with molecular formula C12H14ClN5S and molecular weight 295.07 g/mol. IUPAC: N-[(E)-butan-2-ylideneamino]-4-(3-chlorophenyl)-5-imino-1,2,4-thiadiazol-3-amine.
Chemical Property Profile of RefChem:1052055
Property Insights of RefChem:1052055
The XLogP value of 3.26447 indicates that RefChem:1052055 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.06 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052055. Following Lipinski's Rule of Five, RefChem:1052055 has 2 hydrogen bond donor(s) and 5 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:1052055?
The CAS number of RefChem:1052055 is 115370-89-3.
What is the molecular formula of RefChem:1052055?
The molecular formula of RefChem:1052055 is C12H14ClN5S.
What is the molecular weight of RefChem:1052055?
The molecular weight of RefChem:1052055 is 295.07 g/mol.
Where can I buy RefChem:1052055?
You can request a quote for RefChem:1052055 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052055?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052055 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.