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CAS 768-57-0 3-(2-FURYL)-1-METHYLPROPYLAMINE molecular structure lightbox
CAS RN: 768-57-0

3-(2-FURYL)-1-METHYLPROPYLAMINE

  • Product code: SSC-186215
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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: 5g
  • 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 768-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

768-57-0 / (2R)-4-(furan-2-yl)butan-2-amine

Standard CAS: 768-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
768-57-0
Multi CAS
Yes
Molecular Formula
C8H13NO
Molecular Weight
139.190000
Exact Mass
139.099714
InChI
InChI=1S/C8H13NO/c1-7(9)4-5-8-3-2-6-10-8/h2-3,6-7H,4-5,9H2,1H3/t7-/m1/s1
InChIKey
FMXPHTQMUMXJKJ-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.68
TPSA
39.16

LogP / Solubility

WLOGP
1.56
MLOGP
1.36
XLogP3
1.5
Consensus LogP
1.47
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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