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CAS 1005337-07-4 (2S)-1-(1-Methylethyl)-2-pyrrolidinemethanol molecular structure lightbox
CAS RN: 1005337-07-4

(2S)-1-(1-Methylethyl)-2-pyrrolidinemethanol

  • Product code: SSC-001127
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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 1005337-07-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1005337-07-4 / [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol

1-(1-Methylethyl)-2-pyrrolidinemethanol | (1-isopropylpyrrolidin-2-yl)methanol | (1-propan-2-ylpyrrolidin-2-yl)methanol

Standard CAS: 1005337-07-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1005337-07-4
Multi CAS
Yes
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
SMILES
CC(C)N1CCC[C@H]1CO
InChI
InChI=1S/C8H17NO/c1-7(2)9-5-3-4-8(9)6-10/h7-8,10H,3-6H2,1-2H3/t8-/m0/s1
InChIKey
XJCUYISZYNEDKN-QMMMGPOBSA-N
Synonyms
1-(1-Methylethyl)-2-pyrrolidinemethanol (1-isopropylpyrrolidin-2-yl)methanol (1-propan-2-ylpyrrolidin-2-yl)methanol [1-(propan-2-yl)pyrrolidin-2-yl]methanol [(2S)-1-propan-2-ylpyrrolidin-2-yl]methanol

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.95
TPSA
23.47

LogP / Solubility

WLOGP
0.85
MLOGP
0.74
XLogP3
0.9
Consensus LogP
0.83
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.35
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.54
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)
-2.99

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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