[email protected]
CAS 1123837-28-4 tert-butyl ((6-bromopyridin-3-yl)methyl)(2-methoxyethyl)carbamate molecular structure lightbox
CAS RN: 1123837-28-4

tert-butyl ((6-bromopyridin-3-yl)methyl)(2-methoxyethyl)carbamate

  • Product code: SSC-012822
GET A QUOTE
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, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ≥97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1123837-28-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥97% 5 In Stock Hong Kong Inquiry
0.25g ≥97% 5 In Stock Shenzhen Inquiry
1g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Shanghai Inquiry
25g ≥97% 5 In Stock Shanghai Inquiry

1123837-28-4 / tert-butyl N-[(6-bromo-3-pyridinyl)methyl]-N-(2-methoxyethyl)carbamate

tert-Butyl [(6-Bromopyridin-3-yl)methyl](2-methoxyethyl)carbamate | MFCD32691232 | tert-Butyl ((6-bromopyridin-3-yl)methyl)(2-methoxyethyl)carbamate

Standard CAS: 1123837-28-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1123837-28-4
Multi CAS
Yes
Molecular Formula
C14H21BrN2O3
Molecular Weight
345.230000
Exact Mass
344.073560
SMILES
CC(C)(C)OC(=O)N(CCOC)CC1=CN=C(C=C1)Br
InChI
InChI=1S/C14H21BrN2O3/c1-14(2,3)20-13(18)17(7-8-19-4)10-11-5-6-12(15)16-9-11/h5-6,9H,7-8,10H2,1-4H3
InChIKey
XSWLVMSPIAFKRJ-UHFFFAOYSA-N
Synonyms
tert-Butyl [(6-Bromopyridin-3-yl)methyl](2-methoxyethyl)carbamate MFCD32691232 tert-Butyl ((6-bromopyridin-3-yl)methyl)(2-methoxyethyl)carbamate t-Butyl [(6-bromopyridin-3-yl)methyl](2-methoxyethyl)carbamate tert-butyl N-[(6-bromopyridin-3-yl)methyl]-N-(2-methoxyethyl)carbamate

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
4
Molar refractivity
80.46
TPSA
51.66

LogP / Solubility

WLOGP
3.23
MLOGP
2.86
XLogP3
2.4
Consensus LogP
2.83
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53

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

Customers Also Viewed

Get In Touch

Contact Us