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CAS 18212-81-2 2-(Hydroxymethyl)-2-(2-hydroxybenzylideneamino)-1,3-propanediol molecular structure lightbox
CAS RN: 18212-81-2

2-(Hydroxymethyl)-2-(2-hydroxybenzylideneamino)-1,3-propanediol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251015 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-082983
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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: 1g
  • 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 18212-81-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

18212-81-2 / 2-(hydroxymethyl)-2-[(2-hydroxyphenyl)methylideneamino]propane-1,3-diol

Standard CAS: 18212-81-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18212-81-2
Multi CAS
No
Molecular Formula
C11H15NO4
Molecular Weight
225.240000
Exact Mass
225.100108
SMILES
C1=CC=C(C(=C1)C=NC(CO)(CO)CO)O
InChI
InChI=1S/C11H15NO4/c13-6-11(7-14,8-15)12-5-9-3-1-2-4-10(9)16/h1-5,13-16H,6-8H2
InChIKey
VSZDDNMBCBBGJH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
4
Molar refractivity
59.69
TPSA
93.28

LogP / Solubility

WLOGP
-0.47
MLOGP
-0.41
XLogP3
-0.8
Consensus LogP
-0.56
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-1.07
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.33
Class (SILICOS-IT)
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)
-4.43

Drug-likeness / Medicinal Chemistry

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

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