Novocebrin
TL;DR: Novocebrin (CAS 41320-96-1) is a chemical compound with molecular formula C20H22ClNOS2 and molecular weight 391.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol;hydrochloride
Also Known As: Novocebrin, Novocebrin hydrochloride, alpha-(1-((3,3-Di-3-thienylallyl)amino)ethyl)benzyl alcohol hydrochloride, (1-(3,3-Di(thien-3-ylallyl)amino)ethyl)benzyl alcohol, A-(1-((3,3-di-3-thienylallyl)amino)ethyl)benzyl alcohol hydrochloride
| Molecular Formula | C20H22ClNOS2 |
|---|---|
| Molecular Weight | 391.08 g/mol |
| LogP | 5.3748 |
| Topological Polar Surface Area | 88.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 391.08313 |
| Heavy Atoms | 25 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 41320-96-1 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)NCC=C(C2=CSC=C2)C3=CSC=C3.Cl |
| InChIKey | BRPBPTNOXZNOML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Novocebrin (CAS 41320-96-1), with molecular formula C20H22ClNOS2 and molecular weight 391.08 g/mol. IUPAC: 2-[3,3-di(thiophen-3-yl)prop-2-enylamino]-1-phenylpropan-1-ol;hydrochloride.
Chemical Property Profile of Novocebrin
Property Insights of Novocebrin
The XLogP value of 5.3748 indicates that Novocebrin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Novocebrin. Following Lipinski's Rule of Five, Novocebrin has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Novocebrin?
The CAS number of Novocebrin is 41320-96-1.
What is the molecular formula of Novocebrin?
The molecular formula of Novocebrin is C20H22ClNOS2.
What is the molecular weight of Novocebrin?
The molecular weight of Novocebrin is 391.08 g/mol.
Where can I buy Novocebrin?
You can request a quote for Novocebrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Novocebrin?
Yes, KEHONG BIO provides custom synthesis services for Novocebrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.