S-1389
TL;DR: S-1389 (CAS 94899-83-9) is a chemical compound with molecular formula C17H22Cl3N3O2 and molecular weight 405.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-1389
1-[3,6-dichloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride
Also Known As: 711389-S (hydrochloride), 711389-S, S-1389, S 1389, 711389 S
| Molecular Formula | C17H22Cl3N3O2 |
|---|---|
| Molecular Weight | 405.08 g/mol |
| LogP | 3.8684 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.07776 |
| Heavy Atoms | 25 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 94899-83-9 |
|---|---|
| SMILES | CC(C)NCC(COC1=C(C=CC(=C1C(=C)N2C=CN=C2)Cl)Cl)O.Cl |
| InChIKey | DGLQZJPSOFSWLE-UHFFFAOYSA-N |
Product Overview
S-1389 (CAS 94899-83-9), with molecular formula C17H22Cl3N3O2 and molecular weight 405.08 g/mol. IUPAC: 1-[3,6-dichloro-2-(1-imidazol-1-ylethenyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;hydrochloride.
Chemical Property Profile of S-1389
Property Insights of S-1389
The XLogP value of 3.8684 indicates that S-1389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, S-1389 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-1389 has 3 hydrogen bond donor(s) and 4 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 S-1389?
The CAS number of S-1389 is 94899-83-9.
What is the molecular formula of S-1389?
The molecular formula of S-1389 is C17H22Cl3N3O2.
What is the molecular weight of S-1389?
The molecular weight of S-1389 is 405.08 g/mol.
Where can I buy S-1389?
You can request a quote for S-1389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-1389?
Yes, KEHONG BIO provides custom synthesis services for S-1389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.