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CAS 1060816-62-7 Ethyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate molecular structure lightbox
CAS RN: 1060816-62-7

Ethyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260427 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-007908
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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 1060816-62-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1060816-62-7 / ethyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Ethyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate | MFCD13189415 | SCHEMBL30882787

Standard CAS: 1060816-62-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1060816-62-7
Multi CAS
No
Molecular Formula
C9H8ClN3O2
Molecular Weight
225.630000
Exact Mass
225.030504
SMILES
CCOC(=O)C1=CC2=CN=C(N=C2N1)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-2-15-8(14)6-3-5-4-11-9(10)13-7(5)12-6/h3-4H,2H2,1H3,(H,11,12,13)
InChIKey
VQDDHWOJEVDADL-UHFFFAOYSA-N
Synonyms
Ethyl 2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate MFCD13189415 SCHEMBL30882787 DTXSID10680675 Ethyl2-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.86
TPSA
67.87

LogP / Solubility

WLOGP
1.79
MLOGP
1.58
XLogP3
2.2
Consensus LogP
1.86
Log S (ESOL)
-2.68
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.83

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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