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CAS 4704-94-3 2-(HYDROXYMETHYL)-1,3-PROPANEDIOL molecular structure lightbox
CAS RN: 4704-94-3

2-(HYDROXYMETHYL)-1,3-PROPANEDIOL

  • Product code: SSC-154081
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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: 1g, 5g, 10g, 25g, 0.25g, 100g, 500g
  • Available purity: >97%
  • 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 4704-94-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
5g >97% 5 In Stock Hong Kong Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
100g >97% 1 In Stock Hong Kong Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry

4704-94-3 / 2-(hydroxymethyl)propane-1,3-diol

Standard CAS: 4704-94-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4704-94-3
Multi CAS
Yes
Molecular Formula
C4H10O3
Molecular Weight
106.120000
Exact Mass
106.062994
InChI
InChI=1S/C4H10O3/c5-1-4(2-6)3-7/h4-7H,1-3H2
InChIKey
SFRDXVJWXWOTEW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
24.75
TPSA
60.69

LogP / Solubility

WLOGP
-1.42
MLOGP
-1.26
XLogP3
-1.6
Consensus LogP
-1.43
Log S (ESOL)
0.59
Class (ESOL)
Highly soluble
Log S (Ali)
0.6
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.47
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)
-4.38

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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