ZK-90055 (hydrochloride)
TL;DR: ZK-90055 (hydrochloride) (CAS 84638-81-3) is a chemical compound with molecular formula C16H23ClN2O4 and molecular weight 342.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride
Also Known As: ZK-90055 (hydrochloride), ZK-90055 hydrochloride, ZK 90055 hydrochloride, HY-U00293, methyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride
| Molecular Formula | C16H23ClN2O4 |
|---|---|
| Molecular Weight | 342.13 g/mol |
| LogP | 2.5034 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 342.13464 |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 84638-81-3 |
|---|---|
| SMILES | CC(C)(C)NCC(C1=C2C=C(NC2=C(C=C1)O)C(=O)OC)O.Cl |
| InChIKey | BZVWFZUVKYWJCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ZK-90055 (hydrochloride) (CAS 84638-81-3), with molecular formula C16H23ClN2O4 and molecular weight 342.13 g/mol. IUPAC: methyl 4-[2-(tert-butylamino)-1-hydroxyethyl]-7-hydroxy-1H-indole-2-carboxylate;hydrochloride.
Chemical Property Profile of ZK-90055 (hydrochloride)
Property Insights of ZK-90055 (hydrochloride)
The XLogP value of 2.5034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ZK-90055 (hydrochloride). The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ZK-90055 (hydrochloride). Following Lipinski's Rule of Five, ZK-90055 (hydrochloride) has 5 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 ZK-90055 (hydrochloride)?
The CAS number of ZK-90055 (hydrochloride) is 84638-81-3.
What is the molecular formula of ZK-90055 (hydrochloride)?
The molecular formula of ZK-90055 (hydrochloride) is C16H23ClN2O4.
What is the molecular weight of ZK-90055 (hydrochloride)?
The molecular weight of ZK-90055 (hydrochloride) is 342.13 g/mol.
Where can I buy ZK-90055 (hydrochloride)?
You can request a quote for ZK-90055 (hydrochloride) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ZK-90055 (hydrochloride)?
Yes, KEHONG BIO provides custom synthesis services for ZK-90055 (hydrochloride) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.