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CAS 1459748-96-9 Pyrimidine, 2-(chloromethyl)-5-methoxy-, hydrochloride molecular structure lightbox
CAS RN: 1459748-96-9

Pyrimidine, 2-(chloromethyl)-5-methoxy-, hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250215 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-057131
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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: ≥95%
  • 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 1459748-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1459748-96-9 / 2-(chloromethyl)-5-methoxypyrimidine

Standard CAS: 1459748-96-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1459748-96-9
Multi CAS
No
Molecular Formula
C6H7ClN2O
Molecular Weight
158.580000
Exact Mass
158.024691
SMILES
COC1=CN=C(N=C1)CCl
InChI
InChI=1S/C6H7ClN2O/c1-10-5-3-8-6(2-7)9-4-5/h3-4H,2H2,1H3
InChIKey
YNZVBZWMTZGXPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
38.14
TPSA
35.01

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.6
Consensus LogP
0.96
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.95
Class (SILICOS-IT)
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)
-2.82

Drug-likeness / Medicinal Chemistry

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

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