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CAS 183741-86-8 5-(TERT-BUTOXYCARBONYLAMINO)-2-METHOXYPYRIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 183741-86-8

5-(TERT-BUTOXYCARBONYLAMINO)-2-METHOXYPYRIDINE-4-CARBOXYLIC ACID

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250415 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-084986
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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, 0.25g, 0.1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • 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 183741-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shenzhen Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

183741-86-8 / 2-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-4-carboxylic acid

Standard CAS: 183741-86-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
183741-86-8
Multi CAS
No
Molecular Formula
C12H16N2O5
Molecular Weight
268.270000
Exact Mass
268.105922
SMILES
CC(C)(C)OC(=O)NC1=CN=C(C=C1C(=O)O)OC
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(17)14-8-6-13-9(18-4)5-7(8)10(15)16/h5-6H,1-4H3,(H,14,17)(H,15,16)
InChIKey
YSPBACAUWGFVRJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
67.61
TPSA
97.75

LogP / Solubility

WLOGP
2.14
MLOGP
1.89
XLogP3
1.8
Consensus LogP
1.94
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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