[email protected]
CAS 58-46-8 Tetrabenazine molecular structure lightbox
CAS RN: 58-46-8

Tetrabenazine

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251210 200mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251224 100mg In stock Shanghai Inquiry
Batchno.20260205 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20260512 1g In stock Shanghai Inquiry
Batchno.20260429 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250716 250mg In stock Shanghai Inquiry
Batchno.20260203 5g In stock Shanghai Inquiry
  • Product code: SSC-166194
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 58-46-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

58-46-8 / 9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one

Standard CAS: 58-46-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
58-46-8
Multi CAS
Yes
Molecular Formula
C19H27NO3
Molecular Weight
317.400000
Exact Mass
317.199094
InChI
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
InChIKey
MKJIEFSOBYUXJB-UHFFFAOYSA-N

Physical Properties

Melting Point
126-129 °C Crystals. MP: 208-210 °C. Soluble in hot water; practically insoluble in acetone. UV max (alcohol): 230, 284 nm (epsilon 7780, 3820) /Tetrabenazine hydrochloride/ Bitter crystals. Sensitive to light. MP: 126-130 °C. Sparingly soluble in water, soluble in alcohol, practically insoluble in ether /Tetrabenazine methanesulfonate/ 128 °C
Physical Description
Solid
Appearance
Prisms from methanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
90.13
TPSA
38.77

LogP / Solubility

WLOGP
3.24
MLOGP
2.86
XLogP3
2.9
Consensus LogP
3
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us