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CAS 2230200-79-8 Methyl (S)-2-(chloromethyl)-3-(oxetan-2-ylmethyl)-3H-imidazo[4,5-b]pyridine-5-carboxylate molecular structure lightbox
CAS RN: 2230200-79-8

Methyl (S)-2-(chloromethyl)-3-(oxetan-2-ylmethyl)-3H-imidazo[4,5-b]pyridine-5-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250315 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-108596
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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: 0.1g, 1g, 5g, 25g, 100g, 10g, 0.25g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 13
  • 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 2230200-79-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g >98% 5 In Stock Beijing Inquiry
1g -- 5 In Stock Shenzhen Inquiry
1g >98% 5 In Stock Shanghai Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g >98% 5 In Stock Shenzhen Inquiry
25g -- 5 In Stock Shenzhen Inquiry
25g >98% 5 In Stock Beijing Inquiry
100g >98% 5 In Stock Hong Kong Inquiry
10g -- 3 In Stock Shanghai Inquiry
10g >98% 3 In Stock Shenzhen Inquiry
0.25g -- 2 In Stock Hong Kong Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

2230200-79-8 / methyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylate

Methyl (S)-2-(chloromethyl)-3-(oxetan-2-ylmethyl)-3H-imidazo[4,5-b]pyridine-5-carboxylate | starbld0042111 | SCHEMBL20280071

Standard CAS: 2230200-79-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2230200-79-8
Multi CAS
No
Molecular Formula
C13H14CLN3O3
Molecular Weight
295.720000
Exact Mass
295.072369
SMILES
COC(=O)C1=NC2=C(C=C1)N=C(N2CC3CCO3)CCl
InChI
InChI=1S/C13H14ClN3O3/c1-19-13(18)10-3-2-9-12(16-10)17(11(6-14)15-9)7-8-4-5-20-8/h2-3,8H,4-7H2,1H3/t8-/m0/s1
InChIKey
YSLWOAWEVXQWPB-QMMMGPOBSA-N
Synonyms
Methyl (S)-2-(chloromethyl)-3-(oxetan-2-ylmethyl)-3H-imidazo[4,5-b]pyridine-5-carboxylate starbld0042111 SCHEMBL20280071 SCHEMBL29480797 SCHEMBL29480799

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
72.78
TPSA
66.24

LogP / Solubility

WLOGP
1.75
MLOGP
1.55
XLogP3
1.3
Consensus LogP
1.53
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.51
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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