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CAS 69541-68-0 N-Boc-N’-tosyl-D-histidine molecular structure lightbox
CAS RN: 69541-68-0

N-Boc-N’-tosyl-D-histidine

Product Availability

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3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260414 1g In stock Tianjin Inquiry
Batchno.20250207 25g Out of stock Inquiry
Batchno.20260530 5g Out of stock Inquiry
  • Product code: SSC-179251
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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: 5g
  • 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 69541-68-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

69541-68-0 / 3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 69541-68-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
69541-68-0
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)/t15-/m1/s1
InChIKey
DCLJSEPKYJSEHW-OAHLLOKOSA-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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