JTV-519游离碱
TL;DR: JTV-519游离碱 (CAS 145903-06-6) is a chemical compound with molecular formula C25H32N2O2S and molecular weight 424.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
JTV-519游离碱
3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one
Also Known As: K201 free base, Jtv-519 free base, JTV519 Hemifumarate, JTV-519 (free base), K201 (free base)
| Molecular Formula | C25H32N2O2S |
|---|---|
| Molecular Weight | 424.22 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.21844 |
| Heavy Atoms | 30 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 145903-06-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4 |
| InChIKey | KCWGETCFOVJEPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
JTV-519游离碱 (CAS 145903-06-6), with molecular formula C25H32N2O2S and molecular weight 424.22 g/mol. IUPAC: 3-(4-benzylpiperidin-1-yl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one.
Chemical Property Profile of JTV-519游离碱
Property Insights of JTV-519游离碱
The XLogP value of 4.1 indicates that JTV-519游离碱 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, JTV-519游离碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, JTV-519游离碱 has 0 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 JTV-519游离碱?
The CAS number of JTV-519游离碱 is 145903-06-6.
What is the molecular formula of JTV-519游离碱?
The molecular formula of JTV-519游离碱 is C25H32N2O2S.
What is the molecular weight of JTV-519游离碱?
The molecular weight of JTV-519游离碱 is 424.22 g/mol.
Where can I buy JTV-519游离碱?
You can request a quote for JTV-519游离碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JTV-519游离碱?
Yes, KEHONG BIO provides custom synthesis services for JTV-519游离碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.