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CAS 16055-80-4 L-KYNURENINE SULFATE molecular structure lightbox
CAS RN: 16055-80-4

L-KYNURENINE SULFATE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250913 100mg / 250mg / 1g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
  • Product code: SSC-068458
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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 16055-80-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16055-80-4 / (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid;sulfuric acid

Standard CAS: 16055-80-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16055-80-4
Multi CAS
No
Molecular Formula
C10H14N2O7S
Molecular Weight
306.290000
Exact Mass
306.052172
SMILES
C1=CC=C(C(=C1)C(=O)C[C@@H](C(=O)O)N)N.OS(=O)(=O)O
InChI
InChI=1S/C10H12N2O3.H2O4S/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15;1-5(2,3)4/h1-4,8H,5,11-12H2,(H,14,15);(H2,1,2,3,4)/t8-;/m0./s1
InChIKey
KAXRWMOLNJZCEW-QRPNPIFTSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
5
Molar refractivity
69.59
TPSA
181.01

LogP / Solubility

WLOGP
-0.4
MLOGP
-0.34
XLogP3
-0.4
Consensus LogP
-0.38
Log S (ESOL)
-1.45
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-4.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2

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