S 14063
TL;DR: S 14063 (CAS 137289-83-9) is a chemical compound with molecular formula C22H29Cl2N3O2S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-(2-methoxyphenoxy)ethanamine;dihydrochloride
Also Known As: s14063, N-(1-(Benzothiazol-2-yl))-N-(4-((methoxy-2-ethoxy)-2-phenyl)methylamino)piperidine dihydrochloride, N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-(2-methoxyphenoxy)ethanamine;dihydrochloride, N-(1-(benzothiazol-2-yl))-N-(4-((methoxy-2-ethoxy)-2-phenyl)methylamino)piperidine, 4-Piperidinemethanamine, 1-(2-benzothiazolyl)-N-(2-(2-methoxyphenoxy)methyl)-, dihydrochloride
| Molecular Formula | C22H29Cl2N3O2S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 5.0335 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.13574 |
| Heavy Atoms | 30 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 137289-83-9 |
|---|---|
| SMILES | COC1=CC=CC=C1OCCNCC2CCN(CC2)C3=NC4=CC=CC=C4S3.Cl.Cl |
| InChIKey | ICDMCYQMBGBMPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S 14063 (CAS 137289-83-9), with molecular formula C22H29Cl2N3O2S and molecular weight 469.14 g/mol. IUPAC: N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-(2-methoxyphenoxy)ethanamine;dihydrochloride.
Chemical Property Profile of S 14063
Property Insights of S 14063
The XLogP value of 5.0335 indicates that S 14063 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for S 14063. Following Lipinski's Rule of Five, S 14063 has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S 14063?
The CAS number of S 14063 is 137289-83-9.
What is the molecular formula of S 14063?
The molecular formula of S 14063 is C22H29Cl2N3O2S.
What is the molecular weight of S 14063?
The molecular weight of S 14063 is 469.14 g/mol.
Where can I buy S 14063?
You can request a quote for S 14063 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S 14063?
Yes, KEHONG BIO provides custom synthesis services for S 14063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.