Bromodiphenhydramine
TL;DR: Bromodiphenhydramine (CAS 118-23-0) is a chemical compound with molecular formula C17H20BrNO and molecular weight 333.0728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-bromophenyl)-phenylmethoxy]-N,N-dimethylethanamine
Also Known As: Bromazine, bromodiphenhydramine, Histabromamine, Bromanautine, Bromdiphenhydramine
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H20BrNO |
| Molecular Weight | 333.0728 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 333.0728 Da |
| Heavy Atoms | 20 |
| Complexity | 258.0 |
| Solubility | 3.45e-03 g/L |
| SMILES | CN(C)CCOC(C1=CC=CC=C1)C2=CC=C(C=C2)Br |
| InChIKey | NUNIWXHYABYXKF-UHFFFAOYSA-N |
Product Description
Applications: Bromodiphenhydramine is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. 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).
Bromodiphenhydramine is a pharmaceutical intermediate identified by CAS number 118-23-0 and the molecular formula C17H20BrNO and a molecular weight of 333.07 g/mol. Physically, the compound has a solubility: 3.45e-03 g/L. Synonyms include Bromazine and bromodiphenhydramine.
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 Bromodiphenhydramine
Property Insights of Bromodiphenhydramine
The XLogP value of 4.0 indicates that Bromodiphenhydramine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, Bromodiphenhydramine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromodiphenhydramine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bromodiphenhydramine?
The CAS number of Bromodiphenhydramine is 118-23-0.
What is the molecular formula of Bromodiphenhydramine?
The molecular formula of Bromodiphenhydramine is C17H20BrNO.
What is the molecular weight of Bromodiphenhydramine?
The molecular weight of Bromodiphenhydramine is 333.0728 g/mol.
What are the applications of Bromodiphenhydramine?
Bromodiphenhydramine is used in pharmaceutical synthesis routes and API production, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Bromodiphenhydramine?
You can request a quote for Bromodiphenhydramine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bromodiphenhydramine?
Yes, CoreyChem provides custom synthesis services for Bromodiphenhydramine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.