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CAS 183996-92-1 trans-4-(1-hydroxy-1-methyl-ethyl)cyclohexanecarboxylic acid molecular structure lightbox
CAS RN: 183996-92-1

trans-4-(1-hydroxy-1-methyl-ethyl)cyclohexanecarboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260321 100mg / 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-085104
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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
  • 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 183996-92-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

183996-92-1 / 4-(2-hydroxypropan-2-yl)cyclohexane-1-carboxylic acid

Standard CAS: 183996-92-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183996-92-1
Multi CAS
No
Molecular Formula
C10H18O3
Molecular Weight
186.250000
Exact Mass
186.125594
SMILES
CC(C)(C1CCC(CC1)C(=O)O)O
InChI
InChI=1S/C10H18O3/c1-10(2,13)8-5-3-7(4-6-8)9(11)12/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKey
AVMLEZXKTFPIFG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
49.38
TPSA
57.53

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.2
Consensus LogP
1.43
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-2.28
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.48
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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