1,2-Propanediol,3-chloro-,monoacetate
TL;DR: 1,2-Propanediol,3-chloro-,monoacetate (CAS 53761-46-9) is a chemical compound with molecular formula C32H19Cl2CrN4O4 and molecular weight 645.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate);chromium(3+);hydron
Also Known As: 1,2-Propanediol,3-chloro-,monoacetate, Chromate(1-), bis(1-((5-chloro-2-(hydroxy-kappaO)phenyl)azo-kappaN1)-2-naphthalenolato(2-)-kappaO)-, hydrogen, Chromate(1-), bis((1-(2-hydroxy-5-chlorophenyl)azo)-2-naphthalenolato)-, hydrogen, Hydrogen bis[1-[(5-chloro-2-hydroxyphenyl)azo]-2-naphtholato(2-)]chromate(1-), Chromate(1-), bis(1-(2-(5-chloro-2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)-, hydrogen (1:1)
| Molecular Formula | C32H19Cl2CrN4O4 |
|---|---|
| Molecular Weight | 645.02 g/mol |
| LogP | 8.2216 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 645.01886 |
| Heavy Atoms | 43 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 53761-46-9 |
|---|---|
| SMILES | [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)[O-])[O-].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)[O-])[O-].[Cr+3] |
| InChIKey | HOMXPGRNXLQWJA-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Propanediol,3-chloro-,monoacetate (CAS 53761-46-9), with molecular formula C32H19Cl2CrN4O4 and molecular weight 645.02 g/mol. IUPAC: bis(1-[(5-chloro-2-oxidophenyl)diazenyl]naphthalen-2-olate);chromium(3+);hydron.
Chemical Property Profile of 1,2-Propanediol,3-chloro-,monoacetate
Property Insights of 1,2-Propanediol,3-chloro-,monoacetate
The XLogP value of 8.2216 indicates that 1,2-Propanediol,3-chloro-,monoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 1,2-Propanediol,3-chloro-,monoacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2-Propanediol,3-chloro-,monoacetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,2-Propanediol,3-chloro-,monoacetate?
The CAS number of 1,2-Propanediol,3-chloro-,monoacetate is 53761-46-9.
What is the molecular formula of 1,2-Propanediol,3-chloro-,monoacetate?
The molecular formula of 1,2-Propanediol,3-chloro-,monoacetate is C32H19Cl2CrN4O4.
What is the molecular weight of 1,2-Propanediol,3-chloro-,monoacetate?
The molecular weight of 1,2-Propanediol,3-chloro-,monoacetate is 645.02 g/mol.
Where can I buy 1,2-Propanediol,3-chloro-,monoacetate?
You can request a quote for 1,2-Propanediol,3-chloro-,monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Propanediol,3-chloro-,monoacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Propanediol,3-chloro-,monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.