TI 189
TL;DR: TI 189 (CAS 77787-46-3) is a chemical compound with molecular formula C24H36N6O3S and molecular weight 488.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-amino-N'-[(4S)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxopentyl]methanimidamide
Also Known As: TI 189, N-amino-N'-[(4S)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxopentyl]methanimidamide, 4-Methyl-1-(N(2)-(5,6-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine, 4-Methyl-1-(N(2)-(5-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine, Piperidine, 1-(5-((aminoiminomethyl)amino)-2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-4-methyl-, (S)-
| Molecular Formula | C24H36N6O3S |
|---|---|
| Molecular Weight | 488.26 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 488.25696 |
| Heavy Atoms | 34 |
| Complexity | 776.0 |
Chemical Identifiers
| CAS Number | 77787-46-3 |
|---|---|
| SMILES | CC1CCN(CC1)C(=O)[C@H](CCCN=CNN)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C |
| InChIKey | LEHVOVFBWKETSG-NRFANRHFSA-N |
Product Overview
TI 189 (CAS 77787-46-3), with molecular formula C24H36N6O3S and molecular weight 488.26 g/mol. IUPAC: N-amino-N'-[(4S)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-(4-methylpiperidin-1-yl)-5-oxopentyl]methanimidamide.
Chemical Property Profile of TI 189
Property Insights of TI 189
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TI 189. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TI 189. Following Lipinski's Rule of Five, TI 189 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 TI 189?
The CAS number of TI 189 is 77787-46-3.
What is the molecular formula of TI 189?
The molecular formula of TI 189 is C24H36N6O3S.
What is the molecular weight of TI 189?
The molecular weight of TI 189 is 488.26 g/mol.
Where can I buy TI 189?
You can request a quote for TI 189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TI 189?
Yes, KEHONG BIO provides custom synthesis services for TI 189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.