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CAS 1044770-40-2 Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate molecular structure lightbox
CAS RN: 1044770-40-2

Ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260602 100mg In stock Shanghai, Wuhan Inquiry
Batchno.20250522 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20260620 1g In stock Chengdu Inquiry
Batchno.20260412 250mg In stock Shanghai, Wuhan Inquiry
Batchno.20250403 5g In stock Shanghai Inquiry
  • Product code: SSC-006272
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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 1044770-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1044770-40-2 / ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate

ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate | MFCD11047088 | SCHEMBL23779660

Standard CAS: 1044770-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1044770-40-2
Multi CAS
No
Molecular Formula
C10H11ClN2O2
Molecular Weight
226.660000
Exact Mass
226.050905
SMILES
CCOC(=O)C1=CN=C(N=C1Cl)C2CC2
InChI
InChI=1S/C10H11ClN2O2/c1-2-15-10(14)7-5-12-9(6-3-4-6)13-8(7)11/h5-6H,2-4H2,1H3
InChIKey
TVSRPYXFKHJLDU-UHFFFAOYSA-N
Synonyms
ethyl 4-chloro-2-cyclopropylpyrimidine-5-carboxylate MFCD11047088 SCHEMBL23779660 DTXSID001167615 AKOS030524217

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
54.97
TPSA
52.08

LogP / Solubility

WLOGP
2.18
MLOGP
1.93
XLogP3
2
Consensus LogP
2.04
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.31
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)
-2.55

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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