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CAS 1268729-60-7 (R)-Methyl 3-methyl-2-(methylamino)butanoate hydrochloride molecular structure lightbox
CAS RN: 1268729-60-7

(R)-Methyl 3-methyl-2-(methylamino)butanoate hydrochloride

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260121 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-034142
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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: ≥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 1268729-60-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1268729-60-7 / methyl (2R)-3-methyl-2-(methylamino)butanoate;hydrochloride

Standard CAS: 1268729-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1268729-60-7
Multi CAS
No
Molecular Formula
C7H16ClNO2
Molecular Weight
181.660000
Exact Mass
181.086956
SMILES
CC(C)[C@H](C(=O)OC)NC.Cl
InChI
InChI=1S/C7H15NO2.ClH/c1-5(2)6(8-3)7(9)10-4;/h5-6,8H,1-4H3;1H/t6-;/m1./s1
InChIKey
DLLHGHUMLSLOID-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.95
TPSA
38.33

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.83
Consensus LogP
0.79
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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