RefChem:234520
TL;DR: RefChem:234520 (CAS 56097-13-3) is a chemical compound with molecular formula C18H18Cl2FNS and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E)-3-(2-chloro-7-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: 1-Propanamine, 3-(2-chloro-7-fluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-, hydrochloride, 2-Chloro-9-(3-dimethylaminopropylidene)-7-fluorothioxanthene hydrochloride, 3-(2-Chloro-7-fluoro-9H-thioxanthen-9-ylidene)-N,N-dimethyl-1-propanamine hydrochloride, (3E)-3-(2-chloro-7-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine hydrochloride, (3E)-3-(2-Chloro-7-fluoro-9H-thioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C18H18Cl2FNS |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 5.7489 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 369.0521 |
| Heavy Atoms | 23 |
| Complexity | 690.2966 |
Chemical Identifiers
| CAS Number | 56097-13-3 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=C(C=CC(=C2)F)SC3=C1C=C(C=C3)Cl.Cl |
Product Overview
RefChem:234520 (CAS 56097-13-3), with molecular formula C18H18Cl2FNS and molecular weight 369.05 g/mol. IUPAC: (3E)-3-(2-chloro-7-fluorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:234520
Property Insights of RefChem:234520
The XLogP value of 5.7489 indicates that RefChem:234520 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:234520 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:234520 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:234520?
The CAS number of RefChem:234520 is 56097-13-3.
What is the molecular formula of RefChem:234520?
The molecular formula of RefChem:234520 is C18H18Cl2FNS.
What is the molecular weight of RefChem:234520?
The molecular weight of RefChem:234520 is 369.05 g/mol.
Where can I buy RefChem:234520?
You can request a quote for RefChem:234520 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:234520?
Yes, KEHONG BIO provides custom synthesis services for RefChem:234520 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.