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Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water structure
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Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water

TL;DR: Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water (CAS 56-95-1) is a chemical compound with molecular formula C26H38Cl2N10O4 and molecular weight 624.2455 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

acetic acid;2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine

Also Known As: Chlorhexidine diacetate, Chlorhexidine acetate, chlorzoin, Chlorhexidine diacetate CRS, Chlorhexidine Gluconate 20%

CAS Number
56-95-1
Molecular Formula
C26H38Cl2N10O4
Molecular Weight
624.2455 g/mol
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Application Areas

Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (321 patents) Analytical Reagents (79 patents) Biotechnology (192 patents) Catalysts (11 patents) Coatings & Adhesives (39 patents)

Technical Specifications

Molecular FormulaC26H38Cl2N10O4
Molecular Weight624.2455 g/mol
XLogP3.52
Topological Polar Surface Area (TPSA)252.0 Ų
Hydrogen Bond Donors8
Hydrogen Bond Acceptors6
Rotatable Bonds13
Exact Mass624.2455 Da
Heavy Atoms42
Complexity679.0
SMILESCC(=O)O.CC(=O)O.C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl
InChIKeyWDRFFJWBUDTUCA-UHFFFAOYSA-N

Product Description

Applications: Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water (CAS 56-95-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

A pharmaceutical intermediate supplied by CoreyChem, Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water (CAS 56-95-1) has the molecular formula C26H38Cl2N10O4 and a molecular weight of 624.25 g/mol. It is also known as Chlorhexidine diacetate and Chlorhexidine acetate.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water

XLogP
3.52
TPSA (Topological Polar Surface Area)
252.0
Hydrogen Bond Donors
8
Hydrogen Bond Acceptors
6
Rotatable Bonds
13
Heavy Atoms
42
Complexity
679.0
Exact Mass
624.2455
Monoisotopic Mass
624.2455
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water

The XLogP value of 3.52 indicates that Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.0 Ų indicates high polarity, suggesting Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water has 8 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water?

The CAS number of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water is 56-95-1.

What is the molecular formula of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water?

The molecular formula of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water is C26H38Cl2N10O4.

What is the molecular weight of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water?

The molecular weight of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water is 624.2455 g/mol.

What are the applications of Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water?

Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem...

Where can I buy Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water?

You can request a quote for Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water?

Yes, CoreyChem provides custom synthesis services for Chlorhexidine diacetate 100 microg/mL in Acetonitrile:Water and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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