[email protected]
CAS 1211441-98-3 Ribociclib(LEE011) molecular structure lightbox
CAS RN: 1211441-98-3

Ribociclib(LEE011)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260214 10mg / 50mg / 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Hebei, Guangdong Inquiry
  • Product code: LINR856444
GET A QUOTE

1211441-98-3 / 7-cyclopentyl-N,N-dimethyl-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide

Ribociclib | LEE011 | LEE-011

Standard CAS: 1211441-98-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211441-98-3
Multi CAS
Yes
Molecular Formula
C23H30N8O
Molecular Weight
434.500000
Exact Mass
434.254258
SMILES
CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5
InChI
InChI=1S/C23H30N8O/c1-29(2)22(32)19-13-16-14-26-23(28-21(16)31(19)17-5-3-4-6-17)27-20-8-7-18(15-25-20)30-11-9-24-10-12-30/h7-8,13-15,17,24H,3-6,9-12H2,1-2H3,(H,25,26,27,28)
InChIKey
RHXHGRAEPCAFML-UHFFFAOYSA-N
Synonyms
Ribociclib LEE011 LEE-011 7-cyclopentyl-N,N-dimethyl-2-((5-(piperazin-1-yl)pyridin-2-yl)amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide LEE011A

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
15
Fraction Csp3
0.48
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
2
Molar refractivity
125.65
TPSA
91.21

LogP / Solubility

WLOGP
2.8
MLOGP
2.49
XLogP3
2.2
Consensus LogP
2.5
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.39

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Health Hazard Environmental Hazard
Signal
Danger
GHS Hazard Statements
H360 (14.3%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360FD (57.1%): May damage fertility; May damage the unborn child [Danger Reproductive toxicity] H361d (14.3%): Suspected of damaging the unborn child [Warning Reproductive toxicity] H373 (42.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H411 (85.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P260, P273, P280, P318, P319, P391, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us