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CAS 1260671-77-9 4-Chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine molecular structure lightbox
CAS RN: 1260671-77-9

4-Chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

  • Product code: SSC-031878
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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: 0.1g, 0.25g, 1g, 5g
  • 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 1260671-77-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1260671-77-9 / 4-chloro-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

Standard CAS: 1260671-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260671-77-9
Multi CAS
No
Molecular Formula
C7H7ClN2O
Molecular Weight
170.590000
Exact Mass
170.024691
SMILES
C1COCC2=C1N=CN=C2Cl
InChI
InChI=1S/C7H7ClN2O/c8-7-5-3-11-2-1-6(5)9-4-10-7/h4H,1-3H2
InChIKey
ACUGWSSBFUSLCK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
Molar refractivity
40.4
TPSA
35.01

LogP / Solubility

WLOGP
1.2
MLOGP
1.05
XLogP3
0.9
Consensus LogP
1.05
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.83
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-2.91

Drug-likeness / Medicinal Chemistry

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

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