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CAS 330970-70-2 Alloc-Val-Ala-OH molecular structure lightbox
CAS RN: 330970-70-2

Alloc-Val-Ala-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251117 100mg / 250mg / 1g / 5g / 25g Out of stock 15 business days Inquiry
  • Product code: SSC-138975
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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: 5g
  • 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 330970-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >95% 0 Out of Stock Hong Kong Inquiry

330970-70-2 / 2-[[3-methyl-2-(prop-2-enoxycarbonylamino)butanoyl]amino]propanoic acid

Standard CAS: 330970-70-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
330970-70-2
Multi CAS
Yes
Molecular Formula
C12H20N2O5
Molecular Weight
272.300000
Exact Mass
272.137222
InChI
InChI=1S/C12H20N2O5/c1-5-6-19-12(18)14-9(7(2)3)10(15)13-8(4)11(16)17/h5,7-9H,1,6H2,2-4H3,(H,13,15)(H,14,18)(H,16,17)/t8-,9-/m0/s1
InChIKey
LOIWGNGKOQWZSA-IUCAKERBSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.58
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
68.55
TPSA
104.73

LogP / Solubility

WLOGP
0.51
MLOGP
0.46
XLogP3
0.6
Consensus LogP
0.52
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-4.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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