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CAS 105601-20-5 RIVASTIGMINE molecular structure lightbox
CAS RN: 105601-20-5

RIVASTIGMINE

  • Product code: SSC-007314
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 105601-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

105601-20-5 / [3-[1-(dimethylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate

3-[1-(dimethylamino)ethyl]phenyl ethyl(methyl)carbamate | 3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate | RefChem:496508

Standard CAS: 105601-20-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
105601-20-5
Multi CAS
No
Molecular Formula
C14H22N2O2
Molecular Weight
250.340000
Exact Mass
250.168128
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)C(C)N(C)C
InChI
InChI=1S/C14H22N2O2/c1-6-16(5)14(17)18-13-9-7-8-12(10-13)11(2)15(3)4/h7-11H,6H2,1-5H3
InChIKey
XSVMFMHYUFZWBK-UHFFFAOYSA-N
Synonyms
3-[1-(dimethylamino)ethyl]phenyl ethyl(methyl)carbamate 3-(1-(dimethylamino)ethyl)phenyl ethyl(methyl)carbamate RefChem:496508 DTXCID90197236 DTXSID40861278

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
72.87
TPSA
32.78

LogP / Solubility

WLOGP
2.76
MLOGP
2.43
XLogP3
2.3
Consensus LogP
2.5
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.61
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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