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CAS 72578-33-7 7-(4-CHLOROPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE molecular structure lightbox
CAS RN: 72578-33-7

7-(4-CHLOROPHENYL)-5,6-DIMETHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE

  • Product code: SSC-182074
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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 72578-33-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

72578-33-7 / 7-(4-chlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

Standard CAS: 72578-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
72578-33-7
Multi CAS
No
Molecular Formula
C14H13CLN4
Molecular Weight
272.730000
Exact Mass
272.082874
InChI
InChI=1S/C14H13ClN4/c1-8-9(2)19(11-5-3-10(15)4-6-11)14-12(8)13(16)17-7-18-14/h3-7H,1-2H3,(H2,16,17,18)
InChIKey
LKOSOWWRMRDJLH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
77.76
TPSA
56.73

LogP / Solubility

WLOGP
3.27
MLOGP
2.89
XLogP3
3.3
Consensus LogP
3.15
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.27
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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