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CAS 35899-43-5 Nα-(tert-Butoxycarbonyl)-τ-(p-toluenesulfonyl)-L-histidine molecular structure lightbox
CAS RN: 35899-43-5

Nα-(tert-Butoxycarbonyl)-τ-(p-toluenesulfonyl)-L-histidine

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250624 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260505 1g In stock Inquiry
Batchno.20250511 25g Out of stock Inquiry
Batchno.20250814 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260327 5g / 25g / 100g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-142976
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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: 25g
  • 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 35899-43-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

35899-43-5 / 3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 35899-43-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35899-43-5
Multi CAS
Yes
Molecular Formula
C18H23N3O6S
Molecular Weight
409.500000
Exact Mass
409.130757
InChI
InChI=1S/C18H23N3O6S/c1-12-5-7-14(8-6-12)28(25,26)21-10-13(19-11-21)9-15(16(22)23)20-17(24)27-18(2,3)4/h5-8,10-11,15H,9H2,1-4H3,(H,20,24)(H,22,23)
InChIKey
DCLJSEPKYJSEHW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
11
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
100.49
TPSA
127.59

LogP / Solubility

WLOGP
1.95
MLOGP
1.74
XLogP3
2.2
Consensus LogP
1.96
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.83

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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