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CAS 2462-35-3 (S)-Benzyl 2-amino-4-methylpentanoate hydrochloride molecular structure lightbox
CAS RN: 2462-35-3

(S)-Benzyl 2-amino-4-methylpentanoate hydrochloride

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260325 10g / 25g / 100g / 500g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: SSC-119511
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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: 100g
  • 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 2462-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

2462-35-3 / benzyl (2S)-2-amino-4-methylpentanoate

Standard CAS: 2462-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2462-35-3
Multi CAS
No
Molecular Formula
C13H19NO2
Molecular Weight
221.290000
Exact Mass
221.141579
SMILES
CC(C)C[C@@H](C(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C13H19NO2/c1-10(2)8-12(14)13(15)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9,14H2,1-2H3/t12-/m0/s1
InChIKey
MBRRYUQWSOODEO-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.67
TPSA
52.32

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
2.4
Consensus LogP
2.12
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly 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)
-2.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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