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CAS 2068150-40-1 2-chloro-5-fluoro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine molecular structure lightbox
CAS RN: 2068150-40-1

2-chloro-5-fluoro-7-methyl-7H-pyrrolo[2,3-d]pyrimidine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260629 50mg Out of stock 15 business days Inquiry
  • Product code: SSC-097410
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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 2068150-40-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2068150-40-1 / 2-chloro-5-fluoro-7-methylpyrrolo[2,3-d]pyrimidine

Standard CAS: 2068150-40-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2068150-40-1
Multi CAS
No
Molecular Formula
C7H5ClFN3
Molecular Weight
185.580000
Exact Mass
185.015603
SMILES
CN1C=C(C2=CN=C(N=C21)Cl)F
InChI
InChI=1S/C7H5ClFN3/c1-12-3-5(9)4-2-10-7(8)11-6(4)12/h2-3H,1H3
InChIKey
KMGRQYMMIVVNEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
43.48
TPSA
30.71

LogP / Solubility

WLOGP
1.76
MLOGP
1.55
XLogP3
1.7
Consensus LogP
1.67
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.35
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.33
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)
-2.6

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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