苯海拉明
TL;DR: 苯海拉明 (CAS 58-73-1) is a chemical compound with molecular formula C17H21NO and molecular weight 255.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苯海拉明
2-benzhydryloxy-N,N-dimethylethanamine
Also Known As: diphenhydramine, Benzhydramine, Alledryl, Benadryl, Probedryl
| Molecular Formula | C17H21NO |
|---|---|
| Molecular Weight | 255.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.16231 |
| Heavy Atoms | 19 |
| Complexity | 211.0 |
| Melting Point | 161-162 |
| Boiling Point | 150-165 °C at 2.00E+00 mm Hg |
| Solubility | 3060 |
Chemical Identifiers
| CAS Number | 58-73-1 |
|---|---|
| SMILES | CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2 |
| InChIKey | ZZVUWRFHKOJYTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苯海拉明 (CAS 58-73-1), with molecular formula C17H21NO and molecular weight 255.16 g/mol. IUPAC: 2-benzhydryloxy-N,N-dimethylethanamine.
Chemical Property Profile of 苯海拉明
Property Insights of 苯海拉明
The XLogP value of 3.3 indicates that 苯海拉明 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 苯海拉明 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 苯海拉明 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
Frequently Asked Questions
What is the CAS number of 苯海拉明?
The CAS number of 苯海拉明 is 58-73-1.
What is the molecular formula of 苯海拉明?
The molecular formula of 苯海拉明 is C17H21NO.
What is the molecular weight of 苯海拉明?
The molecular weight of 苯海拉明 is 255.16 g/mol.
Where can I buy 苯海拉明?
You can request a quote for 苯海拉明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苯海拉明?
Yes, KEHONG BIO provides custom synthesis services for 苯海拉明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.