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CAS 135236-72-5 Calcium 3-Hydroxy-3-methylbutyrate Hydrate molecular structure lightbox
CAS RN: 135236-72-5

Calcium 3-Hydroxy-3-methylbutyrate Hydrate

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251031 5g / 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Hebei, Chongqing, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251105 100g In stock Inquiry
Batchno.20250623 2.5kg In stock Inquiry
Batchno.20250831 25g In stock Inquiry
Batchno.20250410 500g In stock Inquiry
  • Product code: SSC-043252
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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: 25g
  • Available purity: ≥97%
  • 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 135236-72-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

135236-72-5 / calcium bis(3-hydroxy-3-methylbutanoate)

Standard CAS: 135236-72-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
135236-72-5
Multi CAS
No
Molecular Formula
C10H18CaO6
Molecular Weight
274.320000
Exact Mass
274.072929
SMILES
CC(C)(CC(=O)[O-])O.CC(C)(CC(=O)[O-])O.[Ca+2]
InChI
InChI=1S/2C5H10O3.Ca/c2*1-5(2,8)3-4(6)7;/h2*8H,3H2,1-2H3,(H,6,7);/q;;+2/p-2
InChIKey
WLJUMPWVUPNXMF-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
57.6
TPSA
120.72

LogP / Solubility

WLOGP
-2.59
MLOGP
-2.27
XLogP3
-2.59
Consensus LogP
-2.48
Log S (ESOL)
0.35
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.22
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.23

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (98.5%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (98.5%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (98.5%): 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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