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CAS 5354-94-9 Benzoyl-L-histidine Monohydrate molecular structure lightbox
CAS RN: 5354-94-9

Benzoyl-L-histidine Monohydrate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 1g In stock Inquiry
Batchno.20250820 250mg In stock Inquiry
Batchno.20260404 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-160895
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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 5354-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

5354-94-9 / (2S)-2-benzamido-3-(1H-imidazol-5-yl)propanoic acid;hydrate

Standard CAS: 5354-94-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5354-94-9
Multi CAS
Yes
Molecular Formula
C13H15N3O4
Molecular Weight
277.280000
Exact Mass
277.106256
InChI
InChI=1S/C13H13N3O3.H2O/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10;/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19);1H2/t11-;/m0./s1
InChIKey
PSBZDLCAFKRJDO-MERQFXBCSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.24
TPSA
126.58

LogP / Solubility

WLOGP
0.01
MLOGP
0.02
XLogP3
0.01
Consensus LogP
0.01
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.07
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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