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Ambroxol structure
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Ambroxol

TL;DR: Ambroxol (CAS 18683-91-5) is a chemical compound with molecular formula C13H18Br2N2O and molecular weight 375.97858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

4-[(2-amino-3,5-dibromophenyl)methylamino]cyclohexan-1-ol

Also Known As: ambroxol, rac-cis-Ambroxol, Ambroxol EP Impurity D, Ambroxol Base, Ambroxol hydrochloride

CAS Number
18683-91-5
Molecular Formula
C13H18Br2N2O
Molecular Weight
375.97858 g/mol
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Application Areas

Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.

Heterocyclic Building Blocks (83 patents) Organic Building Blocks (40 patents) Organometallic Reagents (6 patents) Peptides & Amino Acids (1 patents) Pharmaceutical Intermediates (160 patents)

Technical Specifications

Molecular FormulaC13H18Br2N2O
Molecular Weight375.97858 g/mol
XLogP2.6
Topological Polar Surface Area (TPSA)58.3 Ų
Hydrogen Bond Donors3
Hydrogen Bond Acceptors3
Rotatable Bonds3
Exact Mass377.97653 Da
Heavy Atoms18
Complexity259.0
Solubility>56.7 [ug/mL] (The mean of the results at pH 7.4)
SMILESC1CC(CCC1NCC2=C(C(=CC(=C2)Br)Br)N)O
InChIKeyJBDGDEWWOUBZPM-UHFFFAOYSA-N

Product Description

Applications: Ambroxol 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

Ambroxol (CAS 18683-91-5) is a pharmaceutical intermediate with the molecular formula C13H18Br2N2O and a molecular weight of 375.98 g/mol. Key physical properties include a solubility: >56.7 [ug/mL] (The mean of the results at pH 7.4). Synonyms include ambroxol and rac-cis-Ambroxol.

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 Ambroxol

XLogP
2.6
TPSA (Topological Polar Surface Area)
58.3
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
18
Complexity
259.0
Exact Mass
377.97653
Monoisotopic Mass
375.97858
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 Ambroxol

The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ambroxol. With a topological polar surface area (TPSA) of 58.3 Ų, Ambroxol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ambroxol has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Ambroxol?

The CAS number of Ambroxol is 18683-91-5.

What is the molecular formula of Ambroxol?

The molecular formula of Ambroxol is C13H18Br2N2O.

What is the molecular weight of Ambroxol?

The molecular weight of Ambroxol is 375.97858 g/mol.

What are the applications of Ambroxol?

Ambroxol 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. Available from CoreyChem as both catalog item and...

Where can I buy Ambroxol?

You can request a quote for Ambroxol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Ambroxol?

Yes, CoreyChem provides custom synthesis services for Ambroxol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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