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CAS 1127-13-5 4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid molecular structure lightbox
CAS RN: 1127-13-5

4-hydroxy-Bicyclo[2.2.2]octane-1-carboxylic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260131 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-013040
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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, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • 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 1127-13-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Shanghai Inquiry
0.25g -- 2 In Stock Beijing Inquiry
1g -- 2 In Stock Hong Kong Inquiry
5g -- 2 In Stock Hong Kong Inquiry
10g -- 2 In Stock Beijing Inquiry
25g -- 2 In Stock Hong Kong Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

1127-13-5 / 4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid

4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid | DTXSID50502564 | 4-Hydroxybicyclo(2.2.2)octane-1-carboxylic acid

Standard CAS: 1127-13-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1127-13-5
Multi CAS
No
Molecular Formula
C9H14O3
Molecular Weight
170.210000
Exact Mass
170.094294
SMILES
C1CC2(CCC1(CC2)C(=O)O)O
InChI
InChI=1S/C9H14O3/c10-7(11)8-1-4-9(12,5-2-8)6-3-8/h12H,1-6H2,(H,10,11)
InChIKey
LXQJPKMORWPZGM-UHFFFAOYSA-N
Synonyms
4-hydroxybicyclo[2.2.2]octane-1-carboxylic acid DTXSID50502564 4-Hydroxybicyclo(2.2.2)octane-1-carboxylic acid RefChem:293393 DTXCID40453374

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.72
TPSA
57.53

LogP / Solubility

WLOGP
1.16
MLOGP
1.01
XLogP3
0.5
Consensus LogP
0.89
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.79
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
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)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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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