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CAS 71406-78-5 ethyl 4-amino-2-chloropyrimidine-5-carboxylate,4-amino-2-chloro-pyrimidine-5-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 71406-78-5

ethyl 4-amino-2-chloropyrimidine-5-carboxylate,4-amino-2-chloro-pyrimidine-5-carboxylic acid ethyl ester

  • Product code: SSC-180998
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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: 0.25g, 1g, 5g, 10g
  • 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 71406-78-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

71406-78-5 / ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Standard CAS: 71406-78-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
71406-78-5
Multi CAS
No
Molecular Formula
C7H8CLN3O2
Molecular Weight
201.610000
Exact Mass
201.030504
InChI
InChI=1S/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3,(H2,9,10,11)
InChIKey
FZRLBTIPZJXREW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.41
TPSA
78.1

LogP / Solubility

WLOGP
0.89
MLOGP
0.78
XLogP3
1.6
Consensus LogP
1.09
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-1.86
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)
-3.32

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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