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CAS 1187933-07-8 3-Hydroxy-cyclopentanecarboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1187933-07-8

3-Hydroxy-cyclopentanecarboxylic acid ethyl ester

  • Product code: SSC-018873
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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: 0.25g, 1g, 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 1187933-07-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1187933-07-8 / ethyl 3-hydroxycyclopentane-1-carboxylate

ethyl 3-hydroxycyclopentanecarboxylate | ethyl 3-hydroxycyclopentane-1-carboxylate | DTXSID701284832

Standard CAS: 1187933-07-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1187933-07-8
Multi CAS
No
Molecular Formula
C8H14O3
Molecular Weight
158.190000
Exact Mass
158.094294
SMILES
CCOC(=O)C1CCC(C1)O
InChI
InChI=1S/C8H14O3/c1-2-11-8(10)6-3-4-7(9)5-6/h6-7,9H,2-5H2,1H3
InChIKey
PEOQPQHZHDFVIL-UHFFFAOYSA-N
Synonyms
ethyl 3-hydroxycyclopentanecarboxylate ethyl 3-hydroxycyclopentane-1-carboxylate DTXSID701284832 RefChem:594985 DTXCID801715305

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.98
TPSA
46.53

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.7
Consensus LogP
0.68
Log S (ESOL)
-1.14
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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