RefChem:334147
TL;DR: RefChem:334147 (CAS 72170-37-7) is a chemical compound with molecular formula C29H29Cl2N3O2S and molecular weight 553.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(6-chloro-4-ethoxycarbonylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride
Also Known As: Cinchoninic acid, 6-chloro-2-(10-(3-(dimethylamino)propyl)-2-phenothiazinyl)-, ethyl ester, hydrochloride, 3-[2-(6-chloro-4-ethoxycarbonylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride, CINCHONINIC ACID, 6-CHLORO-2-(10-(3-(DIMETHYLAMINO)PROPYL)-2-PHENOTHIAZINYL)-, E, RefChem:334147
| Molecular Formula | C29H29Cl2N3O2S |
|---|---|
| Molecular Weight | 553.14 g/mol |
| LogP | 2.87 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 553.13574 |
| Heavy Atoms | 37 |
| Complexity | 741.0 |
Chemical Identifiers
| CAS Number | 72170-37-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=NC2=C1C=C(C=C2)Cl)C3=CC4=C(C=C3)SC5=CC=CC=C5N4CCC[NH+](C)C.[Cl-] |
| InChIKey | ULIIIBNEALCLHX-UHFFFAOYSA-N |
Product Overview
RefChem:334147 (CAS 72170-37-7), with molecular formula C29H29Cl2N3O2S and molecular weight 553.14 g/mol. IUPAC: 3-[2-(6-chloro-4-ethoxycarbonylquinolin-2-yl)phenothiazin-10-yl]propyl-dimethylazanium chloride.
Chemical Property Profile of RefChem:334147
Property Insights of RefChem:334147
The XLogP value of 2.87 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:334147. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:334147. Following Lipinski's Rule of Five, RefChem:334147 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:334147?
The CAS number of RefChem:334147 is 72170-37-7.
What is the molecular formula of RefChem:334147?
The molecular formula of RefChem:334147 is C29H29Cl2N3O2S.
What is the molecular weight of RefChem:334147?
The molecular weight of RefChem:334147 is 553.14 g/mol.
Where can I buy RefChem:334147?
You can request a quote for RefChem:334147 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:334147?
Yes, KEHONG BIO provides custom synthesis services for RefChem:334147 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.