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CAS 68838-94-8 (R)-Benzyl 2-aMino-4-Methylpentanoate hydrochloride molecular structure lightbox
CAS RN: 68838-94-8

(R)-Benzyl 2-aMino-4-Methylpentanoate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251130 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-178511
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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, 5g, 10g, 25g
  • 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 68838-94-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry
25g ≥95% 0 Out of Stock Shanghai Inquiry

68838-94-8 / benzyl 2-amino-4-methylpentanoate;hydrochloride

Standard CAS: 68838-94-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68838-94-8
Multi CAS
Yes
Molecular Formula
C13H20CLNO2
Molecular Weight
257.750000
Exact Mass
257.118257
InChI
InChI=1S/C13H19NO2.ClH/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;1H/t12-;/m1./s1
InChIKey
HCYLOEGSAOVRIT-UTONKHPSSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
70.92
TPSA
52.32

LogP / Solubility

WLOGP
2.52
MLOGP
2.23
XLogP3
2.52
Consensus LogP
2.43
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

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

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