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CAS 170848-34-7 BOC-3-IODO-D-ALANINE METHYL ESTER molecular structure lightbox
CAS RN: 170848-34-7

BOC-3-IODO-D-ALANINE METHYL ESTER

  • Product code: SSC-075249
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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: 0.25g, 1g, 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >95%
  • Inventory rows with stock: 8
  • 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 170848-34-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >95% 5 In Stock Beijing Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry
10g >95% 5 In Stock Shanghai Inquiry
25g >95% 5 In Stock Hong Kong Inquiry
100g >95% 5 In Stock Beijing Inquiry
500g >95% 5 In Stock Shanghai Inquiry
1000g >95% 5 In Stock Shenzhen Inquiry

170848-34-7 / methyl (2S)-3-iodo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

Standard CAS: 170848-34-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
170848-34-7
Multi CAS
No
Molecular Formula
C9H16INO4
Molecular Weight
329.130000
Exact Mass
329.012410
SMILES
CC(C)(C)OC(=O)N[C@H](CI)C(=O)OC
InChI
InChI=1S/C9H16INO4/c1-9(2,3)15-8(13)11-6(5-10)7(12)14-4/h6H,5H2,1-4H3,(H,11,13)/t6-/m1/s1
InChIKey
UGZBFCCHLUWCQI-ZCFIWIBFSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
64.06
TPSA
64.63

LogP / Solubility

WLOGP
1.49
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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)
-3.67

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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