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CAS 118725-00-1 (R)-2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE molecular structure lightbox
CAS RN: 118725-00-1

(R)-2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250901 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-018661
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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 118725-00-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

118725-00-1 / methyl (2R)-2-amino-2-methylbutanoate;hydrochloride

(R)-2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE | (R)-Methyl 2-amino-2-methylbutanoate hydrochloride | MFCD07368325

Standard CAS: 118725-00-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
118725-00-1
Multi CAS
Yes
Molecular Formula
C6H14ClNO2
Molecular Weight
167.630000
Exact Mass
167.071306
SMILES
CC[C@](C)(C(=O)OC)N.Cl
InChI
InChI=1S/C6H13NO2.ClH/c1-4-6(2,7)5(8)9-3;/h4,7H2,1-3H3;1H/t6-;/m1./s1
InChIKey
HVPPPARGXDTDEY-FYZOBXCZSA-N
Synonyms
(R)-2-AMINO-2-METHYL-BUTYRIC ACID METHYL ESTER HYDROCHLORIDE (R)-Methyl 2-amino-2-methylbutanoate hydrochloride MFCD07368325 Methyl (R)-2-amino-2-methylbutanoate hydrochloride methyl (2R)-2-amino-2-methylbutanoate;hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.15
TPSA
52.32

LogP / Solubility

WLOGP
0.71
MLOGP
0.62
XLogP3
0.71
Consensus LogP
0.68
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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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