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CAS 117903-25-0 BOC-MENLE-OH molecular structure lightbox
CAS RN: 117903-25-0

BOC-MENLE-OH

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-017729
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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 117903-25-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

117903-25-0 / (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexanoic acid

Boc-Menle-Oh | Boc-N-Me-Nle-OH | Boc-N-methyl-L-norleucine

Standard CAS: 117903-25-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
117903-25-0
Multi CAS
Yes
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
SMILES
CCCC[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-6-7-8-9(10(14)15)13(5)11(16)17-12(2,3)4/h9H,6-8H2,1-5H3,(H,14,15)/t9-/m0/s1
InChIKey
HYGQYTQHPSQSFF-VIFPVBQESA-N
Synonyms
Boc-Menle-Oh Boc-N-Me-Nle-OH Boc-N-methyl-L-norleucine MFCD00153391 n-tert-butoxycarbonyl-n-methyl-l-norleucine

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.95
TPSA
66.84

LogP / Solubility

WLOGP
2.5
MLOGP
2.2
XLogP3
2.5
Consensus LogP
2.4
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.93
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)
-2.44

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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