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CAS 1236670-87-3 5-(2-chloro-5-MethylpyriMidin-4-ylaMino)benzo[d]oxazol-2(3H)-one molecular structure lightbox
CAS RN: 1236670-87-3

5-(2-chloro-5-MethylpyriMidin-4-ylaMino)benzo[d]oxazol-2(3H)-one

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260617 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-027408
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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 1236670-87-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1236670-87-3 / 5-[(2-chloro-5-methylpyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

Standard CAS: 1236670-87-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1236670-87-3
Multi CAS
No
Molecular Formula
C12H9ClN4O2
Molecular Weight
276.680000
Exact Mass
276.041403
SMILES
CC1=CN=C(N=C1NC2=CC3=C(C=C2)OC(=O)N3)Cl
InChI
InChI=1S/C12H9ClN4O2/c1-6-5-14-11(13)17-10(6)15-7-2-3-9-8(4-7)16-12(18)19-9/h2-5H,1H3,(H,16,18)(H,14,15,17)
InChIKey
XCBQURRLOOQIGS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
71.9
TPSA
83.81

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.6
Consensus LogP
2.51
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

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

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