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CAS 106402-41-9 H-Ser-OtBu · HCl molecular structure lightbox
CAS RN: 106402-41-9

H-Ser-OtBu · HCl

  • Product code: SSC-008076
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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, 5g, 10g, 25g
  • Available purity: ＞97%
  • 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 106402-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Hong Kong Inquiry
25g ＞97% 0 Out of Stock Hong Kong Inquiry

106402-41-9 / tert-butyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride

(S)-tert-Butyl 2-amino-3-hydroxypropanoate hydrochloride | RefChem:408231 | 827-702-7

Standard CAS: 106402-41-9 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
106402-41-9
Multi CAS
Yes
Molecular Formula
C7H16ClNO3
Molecular Weight
197.660000
Exact Mass
197.081871
SMILES
CC(C)(C)OC(=O)[C@H](CO)N.Cl
InChI
InChI=1S/C7H15NO3.ClH/c1-7(2,3)11-6(10)5(8)4-9;/h5,9H,4,8H2,1-3H3;1H/t5-;/m0./s1
InChIKey
TUDHOGYHZNNYHW-JEDNCBNOSA-N
Synonyms
(S)-tert-Butyl 2-amino-3-hydroxypropanoate hydrochloride RefChem:408231 827-702-7 H-Ser-OtBu.HCl H-SER-OTBU HCL

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.15
TPSA
72.55

LogP / Solubility

WLOGP
0.07
MLOGP
0.06
XLogP3
0.07
Consensus LogP
0.07
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-1.23
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-3.88

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): 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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