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CAS 1211443-55-8 Ribociclib intermediate molecular structure lightbox
CAS RN: 1211443-55-8

Ribociclib intermediate

  • Product code: SSC-022506
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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: ＞97%
  • 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 1211443-55-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1211443-55-8 / 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde

2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde | 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde | MFCD29041988

Standard CAS: 1211443-55-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211443-55-8
Multi CAS
No
Molecular Formula
C12H12ClN3O
Molecular Weight
249.690000
Exact Mass
249.066890
SMILES
C1CCC(C1)N2C(=CC3=CN=C(N=C32)Cl)C=O
InChI
InChI=1S/C12H12ClN3O/c13-12-14-6-8-5-10(7-17)16(11(8)15-12)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKey
SOXVKQLLJZHYTL-UHFFFAOYSA-N
Synonyms
2-chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carbaldehyde 2-Chloro-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxaldehyde MFCD29041988 2-chloro-7-cyclopentylpyrrolo[2,3-d]pyrimidine-6-carbaldehyde JUZ3EUU6TG

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
65.43
TPSA
47.78

LogP / Solubility

WLOGP
3.01
MLOGP
2.66
XLogP3
2.5
Consensus LogP
2.72
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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