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CAS 1037301-09-9 Butyl (S)-3-Aminotetrahydrofuran-3-carboxylate molecular structure lightbox
CAS RN: 1037301-09-9

Butyl (S)-3-Aminotetrahydrofuran-3-carboxylate

  • Product code: SSC-005341
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g
  • Available purity: ≥95%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1037301-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Beijing Inquiry
1g ≥95% 5 In Stock Hong Kong Inquiry
5g ≥95% 5 In Stock Shenzhen Inquiry
10g ≥95% 5 In Stock Hong Kong Inquiry

1037301-09-9 / butyl (3S)-3-aminooxolane-3-carboxylate

Butyl (S)-3-aminotetrahydrofuran-3-carboxylate | MFCD24627395 | Butyl(S)-3-Aminotetrahydrofuran-3-carboxylate

Standard CAS: 1037301-09-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1037301-09-9
Multi CAS
Yes
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
SMILES
CCCCOC(=O)[C@@]1(CCOC1)N
InChI
InChI=1S/C9H17NO3/c1-2-3-5-13-8(11)9(10)4-6-12-7-9/h2-7,10H2,1H3/t9-/m0/s1
InChIKey
WLXZWNOGIHHQBQ-VIFPVBQESA-N
Synonyms
Butyl (S)-3-aminotetrahydrofuran-3-carboxylate MFCD24627395 Butyl(S)-3-Aminotetrahydrofuran-3-carboxylate butyl (3S)-3-aminooxolane-3-carboxylate n-butyl (S)-3-amino-tetrahydrofuran-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.22
TPSA
61.55

LogP / Solubility

WLOGP
0.45
MLOGP
0.39
XLogP3
0.3
Consensus LogP
0.38
Log S (ESOL)
-1.02
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.73
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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