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CAS 13433-02-8 H-ASP-ALA-OH molecular structure lightbox
CAS RN: 13433-02-8

H-ASP-ALA-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250321 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-041938
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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 13433-02-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Hong Kong Inquiry

13433-02-8 / (3S)-3-amino-4-[[(1S)-1-carboxyethyl]amino]-4-oxobutanoic acid

Standard CAS: 13433-02-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13433-02-8
Multi CAS
No
Molecular Formula
C7H12N2O5
Molecular Weight
204.180000
Exact Mass
204.074621
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N
InChI
InChI=1S/C7H12N2O5/c1-3(7(13)14)9-6(12)4(8)2-5(10)11/h3-4H,2,8H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t3-,4-/m0/s1
InChIKey
DVUFTQLHHHJEMK-IMJSIDKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.57
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
45.47
TPSA
129.72

LogP / Solubility

WLOGP
-1.62
MLOGP
-1.43
XLogP3
-4.1
Consensus LogP
-2.38
Log S (ESOL)
0.25
Class (ESOL)
Highly soluble
Log S (Ali)
-0.06
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
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)
-5.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

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