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CAS 2577-46-0 Methyl L-isoleucinate molecular structure lightbox
CAS RN: 2577-46-0

Methyl L-isoleucinate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250329 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-122268
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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 2577-46-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

2577-46-0 / methyl (2S,3S)-2-amino-3-methylpentanoate

Standard CAS: 2577-46-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2577-46-0
Multi CAS
No
Molecular Formula
C7H15NO2
Molecular Weight
145.200000
Exact Mass
145.110279
SMILES
CC[C@H](C)[C@@H](C(=O)OC)N
InChI
InChI=1S/C7H15NO2/c1-4-5(2)6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t5-,6-/m0/s1
InChIKey
YXMMTUJDQTVJEN-WDSKDSINSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.45
TPSA
52.32

LogP / Solubility

WLOGP
0.53
MLOGP
0.46
XLogP3
0.9
Consensus LogP
0.63
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.23

Drug-likeness / Medicinal Chemistry

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

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