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CAS 2229036-65-9 TL 13-22 molecular structure lightbox
CAS RN: 2229036-65-9

TL 13-22

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250205 5mg Out of stock 30 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260214 100mg Out of stock Inquiry
Batchno.20250811 10mg In stock Shanghai Inquiry
Batchno.20251106 25mg In stock Shanghai Inquiry
Batchno.20260330 50mg In stock Shanghai Inquiry
Batchno.20260218 5mg In stock Shanghai Inquiry
  • Product code: SSC-108241
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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: 0.05g
  • 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 2229036-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.05g ≥95% 0 Out of Stock Beijing Inquiry

2229036-65-9 / N-[2-[2-[2-[4-[4-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-3-methoxyphenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-2-[[1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindol-4-yl]amino]acetamide

Standard CAS: 2229036-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2229036-65-9
Multi CAS
No
Molecular Formula
C45H55ClN10O9S
Molecular Weight
947.500000
Exact Mass
946.356272
SMILES
CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)CCOCCOCCNC(=O)CNC5=CC=CC6=C5C(=O)N(C6=O)C7CCCNC7=O)OC
InChI
InChI=1S/C45H55ClN10O9S/c1-29(2)66(61,62)38-12-5-4-9-34(38)51-41-32(46)27-50-45(53-41)52-33-14-13-30(26-37(33)63-3)55-19-17-54(18-20-55)21-23-65-25-24-64-22-16-47-39(57)28-49-35-10-6-8-31-40(35)44(60)56(43(31)59)36-11-7-15-48-42(36)58/h4-6,8-10,12-14,26-27,29,36,49H,7,11,15-25,28H2,1-3H3,(H,47,57)(H,48,58)(H2,50,51,52,53)
InChIKey
JVBGYTWMZKXATO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Aromatic heavy atom count
24
Fraction Csp3
0.42
Rotatable bonds
21
H-bond acceptors
16
H-bond donors
5
Molar refractivity
250.13
TPSA
225.76

LogP / Solubility

WLOGP
4.07
MLOGP
3.67
XLogP3
5.2
Consensus LogP
4.31
Log S (ESOL)
-7.16
Class (ESOL)
Insoluble
Log S (Ali)
-10.27
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.61

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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