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CAS 1224194-44-8 2-Boc-amino-6-chloro-nicotinic acid molecular structure lightbox
CAS RN: 1224194-44-8

2-Boc-amino-6-chloro-nicotinic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-025341
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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, 5g, 0.1g, 0.25g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • 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 1224194-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Beijing Inquiry
5g ≥95% 4 In Stock Shanghai Inquiry
0.1g ≥95% 2 In Stock Shenzhen Inquiry
0.25g ≥95% 1 In Stock Shanghai Inquiry

1224194-44-8 / 6-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid

Standard CAS: 1224194-44-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1224194-44-8
Multi CAS
No
Molecular Formula
C11H13ClN2O4
Molecular Weight
272.680000
Exact Mass
272.056385
SMILES
CC(C)(C)OC(=O)NC1=C(C=CC(=N1)Cl)C(=O)O
InChI
InChI=1S/C11H13ClN2O4/c1-11(2,3)18-10(17)14-8-6(9(15)16)4-5-7(12)13-8/h4-5H,1-3H3,(H,15,16)(H,13,14,17)
InChIKey
VTQPHEBAPHGVEQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.06
TPSA
88.52

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.8
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.98
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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