St 587
TL;DR: St 587 (CAS 15327-38-5) is a chemical compound with molecular formula C10H10ClF3N4O3 and molecular weight 326.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
St 587
N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;nitric acid
Also Known As: St 587, 4-(Benzylamino)-4-oxoisocrotonic acid, 2-(2-Chloro-5-trifluoromethylphenylimino)imidazolidine, SID:134222760, 1H-Imidazol-2-amine, N-(2-chloro-5-(trifluoromethyl)phenyl)-4,5-dihydro-, mononitrate
| Molecular Formula | C10H10ClF3N4O3 |
|---|---|
| Molecular Weight | 326.04 g/mol |
| LogP | 2.38 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 326.03934 |
| Heavy Atoms | 21 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 15327-38-5 |
|---|---|
| SMILES | C1CN=C(N1)NC2=C(C=CC(=C2)C(F)(F)F)Cl.[N+](=O)(O)[O-] |
| InChIKey | DESQSCXTLOLOOG-UHFFFAOYSA-N |
Product Overview
St 587 (CAS 15327-38-5), with molecular formula C10H10ClF3N4O3 and molecular weight 326.04 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-4,5-dihydro-1H-imidazol-2-amine;nitric acid.
Chemical Property Profile of St 587
Property Insights of St 587
The XLogP value of 2.38 suggests moderate lipophilicity, balancing water solubility and membrane permeability for St 587. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for St 587. Following Lipinski's Rule of Five, St 587 has 3 hydrogen bond donor(s) and 7 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 St 587?
The CAS number of St 587 is 15327-38-5.
What is the molecular formula of St 587?
The molecular formula of St 587 is C10H10ClF3N4O3.
What is the molecular weight of St 587?
The molecular weight of St 587 is 326.04 g/mol.
Where can I buy St 587?
You can request a quote for St 587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for St 587?
Yes, KEHONG BIO provides custom synthesis services for St 587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.