Valpinax
TL;DR: Valpinax (CAS 78891-89-1) is a chemical compound with molecular formula C33H45BrClN3O3 and molecular weight 645.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate;bromide
Also Known As: Valpinax, Anisotropine methylbromide mixture with diazepam, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate;bromide, 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one; (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate; bromide, 8,8-Dimethyl-3-((2-propylpentanoyl)oxy)-8-azabicyclo(3.2.1)octan-8-ium bromide--7-chloro-1-methyl-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one (1/1/1)
| Molecular Formula | C33H45BrClN3O3 |
|---|---|
| Molecular Weight | 645.23 g/mol |
| LogP | 3.6736 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 645.2333 |
| Heavy Atoms | 41 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 78891-89-1 |
|---|---|
| SMILES | CCCC(CCC)C(=O)OC1CC2CCC(C1)[N+]2(C)C.CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3.[Br-] |
| InChIKey | GDBCBWSPLDVSGD-UHFFFAOYSA-M |
Product Overview
Valpinax (CAS 78891-89-1), with molecular formula C33H45BrClN3O3 and molecular weight 645.23 g/mol. IUPAC: 7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one;(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-propylpentanoate;bromide.
Chemical Property Profile of Valpinax
Property Insights of Valpinax
The XLogP value of 3.6736 indicates that Valpinax is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, Valpinax exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Valpinax has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Valpinax?
The CAS number of Valpinax is 78891-89-1.
What is the molecular formula of Valpinax?
The molecular formula of Valpinax is C33H45BrClN3O3.
What is the molecular weight of Valpinax?
The molecular weight of Valpinax is 645.23 g/mol.
Where can I buy Valpinax?
You can request a quote for Valpinax directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Valpinax?
Yes, KEHONG BIO provides custom synthesis services for Valpinax and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.