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CAS 174221-31-9 (R)-a-Hydroxy-cyclopentanepropanoic acid molecular structure lightbox
CAS RN: 174221-31-9

(R)-a-Hydroxy-cyclopentanepropanoic acid

  • Product code: SSC-076461
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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 174221-31-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

174221-31-9 / (2R)-3-cyclopentyl-2-hydroxypropanoic acid

Standard CAS: 174221-31-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
174221-31-9
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
C1CCC(C1)C[C@H](C(=O)O)O
InChI
InChI=1S/C8H14O3/c9-7(8(10)11)5-6-3-1-2-4-6/h6-7,9H,1-5H2,(H,10,11)/t7-/m1/s1
InChIKey
JYUQCNGBJBUVGK-SSDOTTSWSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
40.22
TPSA
57.53

LogP / Solubility

WLOGP
1.01
MLOGP
0.89
XLogP3
1.7
Consensus LogP
1.2
Log S (ESOL)
-1.26
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-2.97

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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