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CAS 118175-10-3 2-Hydroxymethyl-3-methyl-4-(3-methoxy propanoxyl)pyridine molecular structure lightbox
CAS RN: 118175-10-3

2-Hydroxymethyl-3-methyl-4-(3-methoxy propanoxyl)pyridine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260105 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-018015
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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: ≥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 118175-10-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Beijing Inquiry

118175-10-3 / [4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]methanol

2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine | BV1AM69M15 | DTXSID00152033

Standard CAS: 118175-10-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118175-10-3
Multi CAS
Yes
Molecular Formula
C11H17NO3
Molecular Weight
211.260000
Exact Mass
211.120843
SMILES
CC1=C(C=CN=C1CO)OCCCOC
InChI
InChI=1S/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3
InChIKey
OLBSXXZEMRBFIG-UHFFFAOYSA-N
Synonyms
2-Hydroxymethyl-4-(3-methoxypropoxy)-3-methylpyridine BV1AM69M15 DTXSID00152033 RefChem:1069898 4-(3-Methoxypropoxy)-3-methyl-2-pyridinemethanol

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
56.88
TPSA
51.58

LogP / Solubility

WLOGP
1.3
MLOGP
1.14
XLogP3
0.5
Consensus LogP
0.98
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.23
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately 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)
-3.09

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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