RefChem:1066743
TL;DR: RefChem:1066743 (CAS 63833-95-4) is a chemical compound with molecular formula C21H29ClN2S and molecular weight 376.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-tert-butylphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride
Also Known As: 2-Furanacetamide,N-ethyl-a-hydroxy, 3-tert-Butyl-10-(3-dimethylaminopropyl)-phenothiazine hydrochloride, Phenothiazine, 3-tert-butyl-10-(3-dimethylaminopropyl)-, hydrochloride, 3-(3-tert-butyl-10h-phenothiazin-10-yl)-n,n-dimethylpropan-1-amine hydrochloride(1:1), 3-(3-tert-Butyl-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine--hydrogen chloride (1/1)
| Molecular Formula | C21H29ClN2S |
|---|---|
| Molecular Weight | 376.17 g/mol |
| LogP | 5.96 |
| Topological Polar Surface Area | 31.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.174 |
| Heavy Atoms | 25 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 63833-95-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)N(C3=CC=CC=C3S2)CCCN(C)C.Cl |
| InChIKey | VFRUYCJKSSQMBY-UHFFFAOYSA-N |
Product Overview
RefChem:1066743 (CAS 63833-95-4), with molecular formula C21H29ClN2S and molecular weight 376.17 g/mol. IUPAC: 3-(3-tert-butylphenothiazin-10-yl)-N,N-dimethylpropan-1-amine;hydrochloride.
Chemical Property Profile of RefChem:1066743
Property Insights of RefChem:1066743
The XLogP value of 5.96 indicates that RefChem:1066743 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.8 Ų, RefChem:1066743 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066743 has 1 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:1066743?
The CAS number of RefChem:1066743 is 63833-95-4.
What is the molecular formula of RefChem:1066743?
The molecular formula of RefChem:1066743 is C21H29ClN2S.
What is the molecular weight of RefChem:1066743?
The molecular weight of RefChem:1066743 is 376.17 g/mol.
Where can I buy RefChem:1066743?
You can request a quote for RefChem:1066743 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066743?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066743 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.