Mandrax
TL;DR: Mandrax (CAS 8076-99-1) is a chemical compound with molecular formula C33H36ClN3O2 and molecular weight 541.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzhydryloxy-N,N-dimethylethanamine;2-methyl-3-(2-methylphenyl)quinazolin-4-one;hydrochloride
Also Known As: Mandrax, Soval, Diphenhydramine hydrochloride mixture with methaqualone, SID:134222398, Diphenhydramine hydrochloride - methaqualone mixt.
| Molecular Formula | C33H36ClN3O2 |
|---|---|
| Molecular Weight | 541.25 g/mol |
| LogP | 6.78 |
| Topological Polar Surface Area | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 541.24963 |
| Heavy Atoms | 39 |
| Complexity | 602.0 |
Chemical Identifiers
| CAS Number | 8076-99-1 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl |
| InChIKey | WDGXQSVUSMTYNG-UHFFFAOYSA-N |
Product Overview
Mandrax (CAS 8076-99-1), with molecular formula C33H36ClN3O2 and molecular weight 541.25 g/mol. IUPAC: 2-benzhydryloxy-N,N-dimethylethanamine;2-methyl-3-(2-methylphenyl)quinazolin-4-one;hydrochloride.
Chemical Property Profile of Mandrax
Property Insights of Mandrax
The XLogP value of 6.78 indicates that Mandrax is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.1 Ų, Mandrax exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mandrax has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mandrax?
The CAS number of Mandrax is 8076-99-1.
What is the molecular formula of Mandrax?
The molecular formula of Mandrax is C33H36ClN3O2.
What is the molecular weight of Mandrax?
The molecular weight of Mandrax is 541.25 g/mol.
Where can I buy Mandrax?
You can request a quote for Mandrax directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mandrax?
Yes, KEHONG BIO provides custom synthesis services for Mandrax and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.