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CAS 4998-57-6 DL-Histidine molecular structure lightbox
CAS RN: 4998-57-6

DL-Histidine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250103 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
  • Product code: SSC-156232
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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: 100g
  • 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 4998-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry

4998-57-6 / 2-amino-3-(1H-imidazol-5-yl)propanoic acid

Standard CAS: 4998-57-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4998-57-6
Multi CAS
Yes
Molecular Formula
C6H9N3O2
Molecular Weight
155.150000
Exact Mass
155.069477
InChI
InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
InChIKey
HNDVDQJCIGZPNO-UHFFFAOYSA-N

Physical Properties

Physical Description
Solid; [Merck Index] White crystalline solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
37.9
TPSA
92

LogP / Solubility

WLOGP
-0.64
MLOGP
-0.56
XLogP3
-3.2
Consensus LogP
-1.47
Log S (ESOL)
-0.54
Class (ESOL)
Very soluble
Log S (Ali)
-0.37
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.5
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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