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CAS 104055-46-1 H-D-SER-OET HCL molecular structure lightbox
CAS RN: 104055-46-1

H-D-SER-OET HCL

  • Product code: SSC-005825
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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: 5g, 10g, 25g, 100g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 104055-46-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Shenzhen Inquiry
5g ≥97% 5 In Stock Beijing Inquiry
10g ≥97% 5 In Stock Beijing Inquiry
25g -- 2 In Stock Shenzhen Inquiry
25g ≥97% 2 In Stock Beijing Inquiry
100g -- 0 Out of Stock Shanghai Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shenzhen Inquiry

104055-46-1 / ethyl (2R)-2-amino-3-hydroxypropanoate;hydrochloride

ethyl 2-amino-3-hydroxypropanoate hydrochloride | H-DL-Ser-OEt.HCl | Ethyl L-serinate hydrochloride

Standard CAS: 104055-46-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104055-46-1
Multi CAS
Yes
Molecular Formula
C5H12ClNO3
Molecular Weight
169.610000
Exact Mass
169.050571
SMILES
CCOC(=O)[C@@H](CO)N.Cl
InChI
InChI=1S/C5H11NO3.ClH/c1-2-9-5(8)4(6)3-7;/h4,7H,2-3,6H2,1H3;1H/t4-;/m1./s1
InChIKey
JZJQCLZQSHLSFB-PGMHMLKASA-N
Synonyms
ethyl 2-amino-3-hydroxypropanoate hydrochloride H-DL-Ser-OEt.HCl Ethyl L-serinate hydrochloride DL-Serine ethyl ester hydrochloride MFCD00067544

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.94
TPSA
72.55

LogP / Solubility

WLOGP
-0.71
MLOGP
-0.63
XLogP3
-0.71
Consensus LogP
-0.68
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.53
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.26

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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