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CAS 3061-95-8 H-D-ALA-PHE-OH molecular structure lightbox
CAS RN: 3061-95-8

H-D-ALA-PHE-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-135386
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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: ＞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 3061-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

3061-95-8 / 2-(2-aminopropanoylamino)-3-phenylpropanoic acid

Standard CAS: 3061-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3061-95-8
Multi CAS
Yes
Molecular Formula
C12H16N2O3
Molecular Weight
236.270000
Exact Mass
236.116092
InChI
InChI=1S/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10+/m1/s1
InChIKey
OMNVYXHOSHNURL-SCZZXKLOSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
63.36
TPSA
92.42

LogP / Solubility

WLOGP
0.15
MLOGP
0.13
XLogP3
-2.5
Consensus LogP
-0.74
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
Class (SILICOS-IT)
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)
-4.06

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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