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CAS 161579-61-9 Ac-D-Gln-OH molecular structure lightbox
CAS RN: 161579-61-9

Ac-D-Gln-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250516 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-069193
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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 161579-61-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

161579-61-9 / (2R)-2-acetamido-5-amino-5-oxopentanoic acid

Standard CAS: 161579-61-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
161579-61-9
Multi CAS
No
Molecular Formula
C7H12N2O4
Molecular Weight
188.180000
Exact Mass
188.079707
SMILES
CC(=O)N[C@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C7H12N2O4/c1-4(10)9-5(7(12)13)2-3-6(8)11/h5H,2-3H2,1H3,(H2,8,11)(H,9,10)(H,12,13)/t5-/m1/s1
InChIKey
KSMRODHGGIIXDV-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
43.67
TPSA
109.49

LogP / Solubility

WLOGP
-1.16
MLOGP
-1.02
XLogP3
-1.4
Consensus LogP
-1.19
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.52
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)
-4.69

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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