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CAS 113681-11-1 3-(hydroxymethyl)cyclopentane molecular structure lightbox
CAS RN: 113681-11-1

3-(hydroxymethyl)cyclopentane

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250121 5mg Out of stock 30 business days Inquiry
  • Product code: SSC-013699
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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
  • Available purity: >95%
  • Inventory rows with stock: 2
  • 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 113681-11-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Beijing Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

113681-11-1 / (3S)-3-(hydroxymethyl)cyclopentan-1-one

3-(Hydroxymethyl)cyclopentanone | (S)-3-(Hydroxymethyl)cyclopentanone | (3S)-3-(hydroxymethyl)cyclopentan-1-one

Standard CAS: 113681-11-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
113681-11-1
Multi CAS
Yes
Molecular Formula
C6H10O2
Molecular Weight
114.140000
Exact Mass
114.068080
SMILES
C1CC(=O)C[C@H]1CO
InChI
InChI=1S/C6H10O2/c7-4-5-1-2-6(8)3-5/h5,7H,1-4H2/t5-/m0/s1
InChIKey
ZUDJASYMJNCZKF-YFKPBYRVSA-N
Synonyms
3-(Hydroxymethyl)cyclopentanone (S)-3-(Hydroxymethyl)cyclopentanone (3S)-3-(hydroxymethyl)cyclopentan-1-one MFCD23160386 Cyclopentanone, 3-(hydroxymethyl)-, (3S)-

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
29.43
TPSA
37.3

LogP / Solubility

WLOGP
0.35
MLOGP
0.3
XLogP3
-0.4
Consensus LogP
0.08
Log S (ESOL)
-0.7
Class (ESOL)
Very soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
Class (SILICOS-IT)
Very 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)
-3.17

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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