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CAS 91183-71-0 H-MET-OTBU HCL molecular structure lightbox
CAS RN: 91183-71-0

H-MET-OTBU HCL

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251207 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-204076
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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: 25g
  • 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 91183-71-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Beijing Inquiry

91183-71-0 / tert-butyl (2S)-2-amino-4-methylsulfanylbutanoate;hydrochloride

Standard CAS: 91183-71-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91183-71-0
Multi CAS
Yes
Molecular Formula
C9H20CLNO2S
Molecular Weight
241.780000
Exact Mass
241.090328
InChI
InChI=1S/C9H19NO2S.ClH/c1-9(2,3)12-8(11)7(10)5-6-13-4;/h7H,5-6,10H2,1-4H3;1H/t7-;/m0./s1
InChIKey
KZJQROCWHZGZBJ-FJXQXJEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.07
TPSA
52.32

LogP / Solubility

WLOGP
1.83
MLOGP
1.62
XLogP3
1.83
Consensus LogP
1.76
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.23
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)
-2.9

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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