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CAS 402957-28-2 TELAPREVIR molecular structure lightbox
CAS RN: 402957-28-2

TELAPREVIR

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10 package records10 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 100mg In stock Shanghai Inquiry
Batchno.20260505 10mg In stock Shanghai Inquiry
Batchno.20250623 1g In stock Shanghai Inquiry
Batchno.20251021 1mg In stock Shanghai Inquiry
Batchno.20251204 250mg In stock Shanghai Inquiry
Batchno.20250513 25mg In stock Shanghai Inquiry
Batchno.20251229 50mg In stock Shanghai Inquiry
Batchno.20251226 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250416 1ml In stock Inquiry
  • Product code: SSC-148403
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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 402957-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

402957-28-2 / (3S,3aS,6aR)-2-[(2S)-2-[[(2S)-2-cyclohexyl-2-(pyrazine-2-carbonylamino)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(3S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide

Standard CAS: 402957-28-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
402957-28-2
Multi CAS
Yes
Molecular Formula
C36H53N7O6
Molecular Weight
679.800000
Exact Mass
679.405732
InChI
InChI=1S/C36H53N7O6/c1-5-10-25(29(44)34(48)39-23-15-16-23)40-33(47)28-24-14-9-13-22(24)20-43(28)35(49)30(36(2,3)4)42-32(46)27(21-11-7-6-8-12-21)41-31(45)26-19-37-17-18-38-26/h17-19,21-25,27-28,30H,5-16,20H2,1-4H3,(H,39,48)(H,40,47)(H,41,45)(H,42,46)/t22-,24-,25-,27-,28-,30+/m0/s1
InChIKey
BBAWEDCPNXPBQM-GDEBMMAJSA-N

Physical Properties

Physical Description
Solid
Appearance
White to off-white powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
49
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
13
H-bond acceptors
8
H-bond donors
4
Molar refractivity
180.59
TPSA
179.56

LogP / Solubility

WLOGP
2.45
MLOGP
2.21
XLogP3
4.2
Consensus LogP
2.95
Log S (ESOL)
-4.83
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.67
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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