RefChem:1094987
TL;DR: RefChem:1094987 (CAS 101976-42-5) is a chemical compound with molecular formula C18H21Cl3N2S and molecular weight 402.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-methylpropan-2-amine;hydrochloride
Also Known As: 2-Chloro-N-(2-chloroethyl)-N,alpha-dimethyl-10-phenothiazineethylamine hydrochloride, Phenothiazine-10-ethylamine, 2-chloro-N-(2-chloroethyl)-N,alpha-dimethyl-, hydrochloride, 2-Chloro-10-(N-(beta-chloroethyl)-N-methyl-2-aminopropyl)phenothiazine hydrochloride, Phenothiazine, 2-chloro-10-(2-(N-(2-chloroethyl)-N-methylamino)propyl)-, hydrochloride, N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-methyl-propan-2-amine
| Molecular Formula | C18H21Cl3N2S |
|---|---|
| Molecular Weight | 402.05 g/mol |
| LogP | 5.9236 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.0491 |
| Heavy Atoms | 24 |
| Complexity | 695.7141 |
Chemical Identifiers
| CAS Number | 101976-42-5 |
|---|---|
| SMILES | CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)N(C)CCCl.Cl |
Product Overview
RefChem:1094987 (CAS 101976-42-5), with molecular formula C18H21Cl3N2S and molecular weight 402.05 g/mol. IUPAC: N-(2-chloroethyl)-1-(2-chlorophenothiazin-10-yl)-N-methylpropan-2-amine;hydrochloride.
Chemical Property Profile of RefChem:1094987
Property Insights of RefChem:1094987
The XLogP value of 5.9236 indicates that RefChem:1094987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, RefChem:1094987 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1094987 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1094987?
The CAS number of RefChem:1094987 is 101976-42-5.
What is the molecular formula of RefChem:1094987?
The molecular formula of RefChem:1094987 is C18H21Cl3N2S.
What is the molecular weight of RefChem:1094987?
The molecular weight of RefChem:1094987 is 402.05 g/mol.
Where can I buy RefChem:1094987?
You can request a quote for RefChem:1094987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094987?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.