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CAS 1389264-32-7 4-(Boc-aMinoMethyl)-6-chloropyriMidine molecular structure lightbox
CAS RN: 1389264-32-7

4-(Boc-aMinoMethyl)-6-chloropyriMidine

  • Product code: SSC-049068
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1389264-32-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1389264-32-7 / tert-butyl N-[(6-chloropyrimidin-4-yl)methyl]carbamate

Standard CAS: 1389264-32-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1389264-32-7
Multi CAS
No
Molecular Formula
C10H14ClN3O2
Molecular Weight
243.690000
Exact Mass
243.077454
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NC=N1)Cl
InChI
InChI=1S/C10H14ClN3O2/c1-10(2,3)16-9(15)12-5-7-4-8(11)14-6-13-7/h4,6H,5H2,1-3H3,(H,12,15)
InChIKey
SLVHELJLPHOMLT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.12
TPSA
64.11

LogP / Solubility

WLOGP
2.15
MLOGP
1.9
XLogP3
1.7
Consensus LogP
1.92
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.27
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.68

Drug-likeness / Medicinal Chemistry

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

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