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CAS 91229-86-6 5-Bromo-N-[(tert-butoxy)carbonyl]-L-norvaline tert-butyl ester molecular structure lightbox
CAS RN: 91229-86-6

5-Bromo-N-[(tert-butoxy)carbonyl]-L-norvaline tert-butyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250718 100mg / 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
  • Product code: SSC-204106
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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 91229-86-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

91229-86-6 / tert-butyl (2S)-5-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Standard CAS: 91229-86-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91229-86-6
Multi CAS
Yes
Molecular Formula
BC14H26O4Rn
Molecular Weight
352.260000
Exact Mass
351.104520
InChI
InChI=1S/C14H26BrNO4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9H2,1-6H3,(H,16,18)/t10-/m0/s1
InChIKey
UOJPSBYBSNFVHA-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
82.03
TPSA
64.63

LogP / Solubility

WLOGP
3.4
MLOGP
3.01
XLogP3
3.3
Consensus LogP
3.24
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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