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CAS 1248587-70-3 tert-Butyl 4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperazine-1-carboxylate molecular structure lightbox
CAS RN: 1248587-70-3

tert-Butyl 4-(7H-pyrrolo[2,3-d]pyriMidin-4-yl)piperazine-1-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250501 500mg Out of stock 15 business days Inquiry
  • Product code: SSC-029135
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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 1248587-70-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1248587-70-3 / tert-butyl 4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

Standard CAS: 1248587-70-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1248587-70-3
Multi CAS
No
Molecular Formula
C15H21N5O2
Molecular Weight
303.360000
Exact Mass
303.169525
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C2C=CN3
InChI
InChI=1S/C15H21N5O2/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)13-11-4-5-16-12(11)17-10-18-13/h4-5,10H,6-9H2,1-3H3,(H,16,17,18)
InChIKey
KYIUIOLRCKTBSG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
83.91
TPSA
74.35

LogP / Solubility

WLOGP
2.02
MLOGP
1.79
XLogP3
1.8
Consensus LogP
1.87
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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