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CAS 1097250-86-6 4-PyriMidinecarboxylic acid, 6-aMino-5-chloro-, ethyl ester molecular structure lightbox
CAS RN: 1097250-86-6

4-PyriMidinecarboxylic acid, 6-aMino-5-chloro-, ethyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260524 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-011077
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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 1097250-86-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1097250-86-6 / ethyl 6-amino-5-chloropyrimidine-4-carboxylate

Ethyl 6-amino-5-chloropyrimidine-4-carboxylate | DTXSID20727161 | RefChem:1084989

Standard CAS: 1097250-86-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1097250-86-6
Multi CAS
No
Molecular Formula
C7H8ClN3O2
Molecular Weight
201.610000
Exact Mass
201.030504
SMILES
CCOC(=O)C1=C(C(=NC=N1)N)Cl
InChI
InChI=1S/C7H8ClN3O2/c1-2-13-7(12)5-4(8)6(9)11-3-10-5/h3H,2H2,1H3,(H2,9,10,11)
InChIKey
NGDZPGIARMPAAO-UHFFFAOYSA-N
Synonyms
Ethyl 6-amino-5-chloropyrimidine-4-carboxylate DTXSID20727161 RefChem:1084989 DTXCID70677905 4-Pyrimidinecarboxylic acid, 6-amino-5-chloro-, ethyl ester

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
Consensus LogP
0.89
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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