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CAS 863971-53-3 Fmoc-Val-Cit-PAB-PNP molecular structure lightbox
CAS RN: 863971-53-3

Fmoc-Val-Cit-PAB-PNP

Product Availability

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13 package records11 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250928 100mg In stock Inquiry
Batchno.20251120 1g Out of stock Inquiry
Batchno.20250523 250mg In stock Inquiry
Batchno.20260214 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260513 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251004 10mg In stock Shanghai Inquiry
Batchno.20250921 1g In stock Wuhan Inquiry
Batchno.20260511 1mg In stock Shanghai Inquiry
Batchno.20250613 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251026 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251201 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20250317 5g In stock Shanghai Inquiry
Batchno.20250105 5mg In stock Shanghai Inquiry
  • Product code: SSC-195402
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: >98%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 863971-53-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 2 In Stock Hong Kong Inquiry
0.25g >98% 2 In Stock Beijing Inquiry
1g >98% 0 Out of Stock Beijing Inquiry
5g >98% 0 Out of Stock Hong Kong Inquiry
10g >98% 0 Out of Stock Shenzhen Inquiry
25g >98% 0 Out of Stock Beijing Inquiry

863971-53-3 / [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl (4-nitrophenyl) carbonate

Standard CAS: 863971-53-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
863971-53-3
Multi CAS
Yes
Molecular Formula
C40H42N6O10
Molecular Weight
766.800000
Exact Mass
766.296242
InChI
InChI=1S/C40H42N6O10/c1-24(2)35(45-39(50)54-23-33-31-10-5-3-8-29(31)30-9-4-6-11-32(30)33)37(48)44-34(12-7-21-42-38(41)49)36(47)43-26-15-13-25(14-16-26)22-55-40(51)56-28-19-17-27(18-20-28)46(52)53/h3-6,8-11,13-20,24,33-35H,7,12,21-23H2,1-2H3,(H,43,47)(H,44,48)(H,45,50)(H3,41,42,49)/t34-,35-/m0/s1
InChIKey
USMYACISHVPTHK-PXLJZGITSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
24
Fraction Csp3
0.28
Rotatable bonds
16
H-bond acceptors
10
H-bond donors
5
Molar refractivity
204.56
TPSA
230.32

LogP / Solubility

WLOGP
5.75
MLOGP
5.12
XLogP3
5.6
Consensus LogP
5.49
Log S (ESOL)
-7.48
Class (ESOL)
Insoluble
Log S (Ali)
-10
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.33
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)
-3.32

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

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