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CAS 183498-47-7 AC-HIS(1-TRT)-OH molecular structure lightbox
CAS RN: 183498-47-7

AC-HIS(1-TRT)-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250207 250mg Out of stock 15 business days Inquiry
  • Product code: SSC-084871
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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: ≥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 183498-47-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

183498-47-7 / (2S)-2-acetamido-3-(1-tritylimidazol-4-yl)propanoic acid

Standard CAS: 183498-47-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183498-47-7
Multi CAS
No
Molecular Formula
C27H25N3O3
Molecular Weight
439.500000
Exact Mass
439.189592
SMILES
CC(=O)N[C@@H](CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O
InChI
InChI=1S/C27H25N3O3/c1-20(31)29-25(26(32)33)17-24-18-30(19-28-24)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,18-19,25H,17H2,1H3,(H,29,31)(H,32,33)/t25-/m0/s1
InChIKey
MFOVFDBMJIPSLM-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
23
Fraction Csp3
0.15
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.78
TPSA
84.22

LogP / Solubility

WLOGP
3.86
MLOGP
3.42
XLogP3
4
Consensus LogP
3.76
Log S (ESOL)
-4.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.66

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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