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CAS 141206-42-0 N-Butyl-1-deoxygalactonojirimycin molecular structure lightbox
CAS RN: 141206-42-0

N-Butyl-1-deoxygalactonojirimycin

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 10mg Out of stock Inquiry
Batchno.20251122 1mg Out of stock Inquiry
Batchno.20260418 5mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250830 1mg / 5mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS141206-42-0
  • Purity/Analytical Methods: >99.0%
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141206-42-0 / (2R,3S,4R,5S)-1-butyl-2-(hydroxymethyl)piperidine-3,4,5-triol

Standard CAS: 141206-42-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
141206-42-0
Multi CAS
No
Molecular Formula
C10H21NO4
Molecular Weight
219.280000
Exact Mass
219.147058
SMILES
CCCCN1C[C@@H]([C@H]([C@H]([C@H]1CO)O)O)O
InChI
InChI=1S/C10H21NO4/c1-2-3-4-11-5-8(13)10(15)9(14)7(11)6-12/h7-10,12-15H,2-6H2,1H3/t7-,8+,9+,10-/m1/s1
InChIKey
UQRORFVVSGFNRO-XFWSIPNHSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
55.38
TPSA
84.16

LogP / Solubility

WLOGP
-1.45
MLOGP
-1.28
XLogP3
-0.6
Consensus LogP
-1.11
Log S (ESOL)
-0.02
Class (ESOL)
Very soluble
Log S (Ali)
-0.31
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.09

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Warning
GHS Hazard Statements
H302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation] H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H361 (75%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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