[email protected]
CAS 22195-34-2 Guanadrel HeMisulfate molecular structure lightbox
CAS RN: 22195-34-2

Guanadrel HeMisulfate

  • Product code: SSC-106775
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: 0.5g
  • Available purity: ≥95%
  • 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 22195-34-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.5g ≥95% 0 Out of Stock Beijing Inquiry

22195-34-2 / bis(2-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)guanidine);sulfuric acid

Standard CAS: 22195-34-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
22195-34-2
Multi CAS
No
Molecular Formula
C20H40N6O8S
Molecular Weight
524.600000
Exact Mass
524.262833
SMILES
C1CCC2(CC1)OCC(O2)CN=C(N)N.C1CCC2(CC1)OCC(O2)CN=C(N)N.OS(=O)(=O)O
InChI
InChI=1S/C10H19N3O2.H2O4S/c11-9(12)13-6-8-7-14-10(15-8)4-2-1-3-5-10;1-5(2,3)4/h8H,1-7H2,(H4,11,12,13);(H2,1,2,3,4)
InChIKey
MFSAPVOEKNVUEU-UHFFFAOYSA-N

Physical Properties

Melting Point
213.5-215 °C
Appearance
White to off-white crystalline powder Crystals from methanol/ethanol
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.9
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
6
Molar refractivity
128.81
TPSA
240.32

LogP / Solubility

WLOGP
0.02
MLOGP
0.06
XLogP3
0.02
Consensus LogP
0.03
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.57
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.91

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Customers Also Viewed

Get In Touch

Contact Us