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CAS 125982-19-6 (4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-hydroxypentanoic acid ethyl ester molecular structure lightbox
CAS RN: 125982-19-6

(4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-5-hydroxypentanoic acid ethyl ester

  • Product code: SSC-031365
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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: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • 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 125982-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Shenzhen Inquiry
0.25g >95% 5 In Stock Shanghai Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry

125982-19-6 / ethyl (4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Standard CAS: 125982-19-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
125982-19-6
Multi CAS
No
Molecular Formula
C12H23NO5
Molecular Weight
261.310000
Exact Mass
261.157623
SMILES
CCOC(=O)CC[C@@H](CO)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO5/c1-5-17-10(15)7-6-9(8-14)13-11(16)18-12(2,3)4/h9,14H,5-8H2,1-4H3,(H,13,16)/t9-/m0/s1
InChIKey
YJJLBIIKYNSDRO-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
66.11
TPSA
84.86

LogP / Solubility

WLOGP
1.22
MLOGP
1.08
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.45

Drug-likeness / Medicinal Chemistry

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

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