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CAS 64431-96-5 1,3-Bis[tris(hydroxymethyl)methylamino]propane [for Buffer Material] molecular structure lightbox
CAS RN: 64431-96-5

1,3-Bis[tris(hydroxymethyl)methylamino]propane [for Buffer Material]

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250210 100g In stock Inquiry
Batchno.20260106 25g In stock Inquiry
Batchno.20251127 500g Out of stock Inquiry
Batchno.20250802 5g In stock Inquiry
Batch No.PackageAvailabilityInquiry
Batchno.20260607 100g In stock Inquiry
Batchno.20250905 25g In stock Inquiry
  • Product code: SSC-174193
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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: 100g
  • Available purity: >99%
  • 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 64431-96-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >99% 0 Out of Stock Beijing Inquiry

64431-96-5 / 2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]propylamino]-2-(hydroxymethyl)propane-1,3-diol

Standard CAS: 64431-96-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
64431-96-5
Multi CAS
Yes
Molecular Formula
C11H26N2O6
Molecular Weight
282.330000
Exact Mass
282.179087
InChI
InChI=1S/C11H26N2O6/c14-4-10(5-15,6-16)12-2-1-3-13-11(7-17,8-18)9-19/h12-19H,1-9H2
InChIKey
HHKZCCWKTZRCCL-UHFFFAOYSA-N

Physical Properties

Physical Description
White powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
8
Molar refractivity
68.6
TPSA
145.44

LogP / Solubility

WLOGP
-4.01
MLOGP
-3.52
XLogP3
-4.6
Consensus LogP
-4.04
Log S (ESOL)
1.73
Class (ESOL)
Highly soluble
Log S (Ali)
1.02
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.4
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)
-7.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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