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CAS 1156112-79-6 2-(3-(hydroxymethyl)piperidin-1-yl)acetic acid molecular structure lightbox
CAS RN: 1156112-79-6

2-(3-(hydroxymethyl)piperidin-1-yl)acetic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251129 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-015368
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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 1156112-79-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1156112-79-6 / 2-[3-(hydroxymethyl)piperidin-1-yl]acetic acid

2-(3-(hydroxymethyl)piperidin-1-yl)acetic acid | (3-Hydroxymethyl-piperidin-1-yl)-acetic acid | 2-[3-(hydroxymethyl)piperidin-1-yl]acetic acid

Standard CAS: 1156112-79-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1156112-79-6
Multi CAS
No
Molecular Formula
C8H15NO3
Molecular Weight
173.210000
Exact Mass
173.105193
SMILES
C1CC(CN(C1)CC(=O)O)CO
InChI
InChI=1S/C8H15NO3/c10-6-7-2-1-3-9(4-7)5-8(11)12/h7,10H,1-6H2,(H,11,12)
InChIKey
SCJFHBAVMNSXQK-UHFFFAOYSA-N
Synonyms
2-(3-(hydroxymethyl)piperidin-1-yl)acetic acid (3-Hydroxymethyl-piperidin-1-yl)-acetic acid 2-[3-(hydroxymethyl)piperidin-1-yl]acetic acid MFCD12143990 2-[3-(hydroxymethyl)-1-piperidyl]acetic acid

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
43.89
TPSA
60.77

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-2.4
Consensus LogP
-0.94
Log S (ESOL)
-0.57
Class (ESOL)
Very soluble
Log S (Ali)
-0.82
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
Class (SILICOS-IT)
Very 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)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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