RefChem:1100078
TL;DR: RefChem:1100078 (CAS 15931-01-8) is a chemical compound with molecular formula C22H28ClNS and molecular weight 373.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-N,N-dimethyl-3-[2-(2-methylpropyl)thioxanthen-9-ylidene]propan-1-amine;hydrochloride
Also Known As: cis-2-Isobutyl-9-(3-dimethylaminopropylidene)thioxanthene hydrochloride, Thioxanthene-delta(sup 9,gamma)-propylamine, N,N-dimethyl-2-isobutyl-, hydrochloride, (Z)-, (3Z)-N,N-dimethyl-3-[2-(2-methylpropyl)thioxanthen-9-ylidene]propan-1-amine hydrochloride, RefChem:1100078
| Molecular Formula | C22H28ClNS |
|---|---|
| Molecular Weight | 373.16 g/mol |
| LogP | 6.1549 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.1631 |
| Heavy Atoms | 25 |
| Complexity | 749.4425 |
Chemical Identifiers
| CAS Number | 15931-01-8 |
|---|---|
| SMILES | CC(C)CC1=CC\2=C(C=C1)SC3=CC=CC=C3/C2=C/CCN(C)C.Cl |
Product Overview
RefChem:1100078 (CAS 15931-01-8), with molecular formula C22H28ClNS and molecular weight 373.16 g/mol. IUPAC: (3Z)-N,N-dimethyl-3-[2-(2-methylpropyl)thioxanthen-9-ylidene]propan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1100078
Property Insights of RefChem:1100078
The XLogP value of 6.1549 indicates that RefChem:1100078 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, RefChem:1100078 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1100078 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1100078?
The CAS number of RefChem:1100078 is 15931-01-8.
What is the molecular formula of RefChem:1100078?
The molecular formula of RefChem:1100078 is C22H28ClNS.
What is the molecular weight of RefChem:1100078?
The molecular weight of RefChem:1100078 is 373.16 g/mol.
Where can I buy RefChem:1100078?
You can request a quote for RefChem:1100078 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100078?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100078 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.