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CAS 1072027-36-1 4-(4-Boc-1-piperazinyl)-5-broMo-7H-pyrrolo[2,3-d]pyriMidine molecular structure lightbox
CAS RN: 1072027-36-1

4-(4-Boc-1-piperazinyl)-5-broMo-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.20260209 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-008683
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1072027-36-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shanghai Inquiry

1072027-36-1 / tert-butyl 4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate

4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine | MFCD18642459 | C15H20BrN5O2

Standard CAS: 1072027-36-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072027-36-1
Multi CAS
Yes
Molecular Formula
C15H20BrN5O2
Molecular Weight
382.260000
Exact Mass
381.080040
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=NC3=C2C(=CN3)Br
InChI
InChI=1S/C15H20BrN5O2/c1-15(2,3)23-14(22)21-6-4-20(5-7-21)13-11-10(16)8-17-12(11)18-9-19-13/h8-9H,4-7H2,1-3H3,(H,17,18,19)
InChIKey
CLUNNCWOKMEGMR-UHFFFAOYSA-N
Synonyms
4-(4-Boc-1-piperazinyl)-5-bromo-7H-pyrrolo[2,3-d]pyrimidine MFCD18642459 C15H20BrN5O2 tert-butyl 4-(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboxylate SCHEMBL2253309

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.53
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
91.61
TPSA
74.35

LogP / Solubility

WLOGP
2.78
MLOGP
2.47
XLogP3
2.5
Consensus LogP
2.58
Log S (ESOL)
-4.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.57
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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