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CAS 101650-14-0 (S)-Boc-γ-Iodo-Abu-OMe molecular structure lightbox
CAS RN: 101650-14-0

(S)-Boc-γ-Iodo-Abu-OMe

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-002473
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 10g, 5g, 25g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 101650-14-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 3 In Stock Shenzhen Inquiry
0.1g >95% 2 In Stock Shanghai Inquiry
0.25g >95% 2 In Stock Shenzhen Inquiry
10g >95% 2 In Stock Beijing Inquiry
5g >95% 1 In Stock Shanghai Inquiry
25g >95% 1 In Stock Shenzhen Inquiry

101650-14-0 / methyl (2S)-4-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

2-(Boc-amino)-4-iodobutyric acid methyl ester | Methyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate | (S)-2-(Boc-amino)-4-iodobutyric acid methyl ester

Standard CAS: 101650-14-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101650-14-0
Multi CAS
Yes
Molecular Formula
C10H18INO4
Molecular Weight
343.160000
Exact Mass
343.028060
SMILES
CC(C)(C)OC(=O)N[C@@H](CCI)C(=O)OC
InChI
InChI=1S/C10H18INO4/c1-10(2,3)16-9(14)12-7(5-6-11)8(13)15-4/h7H,5-6H2,1-4H3,(H,12,14)/t7-/m0/s1
InChIKey
VYAWQKJZQJHWPR-ZETCQYMHSA-N
Synonyms
2-(Boc-amino)-4-iodobutyric acid methyl ester Methyl 2-((tert-butoxycarbonyl)amino)-4-iodobutanoate (S)-2-(Boc-amino)-4-iodobutyric acid methyl ester methyl (R)-2-((tert-butoxycarbonyl)amino)-4-iodobutanoate methyl (2R)-2-{[(tert-butoxy)carbonyl]amino}-4-iodobutanoate

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.68
TPSA
64.63

LogP / Solubility

WLOGP
1.88
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48

Drug-likeness / Medicinal Chemistry

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

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