3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺
TL;DR: 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 (CAS 113-59-7) is a chemical compound with molecular formula C18H18ClNS and molecular weight 315.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺
3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Also Known As: chlorprothixene, Tardan, Chlorprothixen, Chlorprothixine, Chlorprotixen
| Molecular Formula | C18H18ClNS |
|---|---|
| Molecular Weight | 315.08 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 28.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.08484 |
| Heavy Atoms | 21 |
| Complexity | 381.0 |
| Melting Point | 97.5 °C |
| Solubility | 3.66e-04 g/L |
Chemical Identifiers
| CAS Number | 113-59-7 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl |
| InChIKey | WSPOMRSOLSGNFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 (CAS 113-59-7), with molecular formula C18H18ClNS and molecular weight 315.08 g/mol. IUPAC: 3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine.
Chemical Property Profile of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺
Property Insights of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺
The XLogP value of 5.2 indicates that 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.5 Ų, 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 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 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺?
The CAS number of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 is 113-59-7.
What is the molecular formula of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺?
The molecular formula of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 is C18H18ClNS.
What is the molecular weight of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺?
The molecular weight of 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 is 315.08 g/mol.
Where can I buy 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺?
You can request a quote for 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-氯-9H-硫杂蒽-9-亚基)-N,N-二甲基-1-丙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.