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CAS 103878-75-7 N-[2-(Boc-amino)ethyl]-4-chloropyridine-2-carboxamide molecular structure lightbox
CAS RN: 103878-75-7

N-[2-(Boc-amino)ethyl]-4-chloropyridine-2-carboxamide

  • Product code: SSC-005525
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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: 5g, 10g, 1g, 25g, 0.1g, 0.25g
  • Available purity: ≥98%
  • 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 103878-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 4 In Stock Beijing Inquiry
1g ≥98% 3 In Stock Shenzhen Inquiry
25g ≥98% 2 In Stock Beijing Inquiry
0.1g ≥98% 0 Out of Stock Beijing Inquiry
0.25g ≥98% 0 Out of Stock Beijing Inquiry

103878-75-7 / tert-butyl N-[2-[(4-chloropyridine-2-carbonyl)amino]ethyl]carbamate

N-[2-(Boc-amino)ethyl]-4-chloropyridine-2-carboxamide | MFCD32177094 | tert-Butyl (2-(4-chloropicolinamido)ethyl)carbamate

Standard CAS: 103878-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
103878-75-7
Multi CAS
No
Molecular Formula
C13H18ClN3O3
Molecular Weight
299.750000
Exact Mass
299.103669
SMILES
CC(C)(C)OC(=O)NCCNC(=O)C1=NC=CC(=C1)Cl
InChI
InChI=1S/C13H18ClN3O3/c1-13(2,3)20-12(19)17-7-6-16-11(18)10-8-9(14)4-5-15-10/h4-5,8H,6-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
XBYGHVVRWNRGGD-UHFFFAOYSA-N
Synonyms
N-[2-(Boc-amino)ethyl]-4-chloropyridine-2-carboxamide MFCD32177094 tert-Butyl (2-(4-chloropicolinamido)ethyl)carbamate tert-butyl N-[2-[(4-chloropyridine-2-carbonyl)amino]ethyl]carbamate XBYGHVVRWNRGGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
75.82
TPSA
80.32

LogP / Solubility

WLOGP
1.99
MLOGP
1.76
XLogP3
1.8
Consensus LogP
1.85
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-3.14

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
1.5

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