[email protected]
CAS 118021-35-5 O-(2-AMINOETHYL)-L-SERINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 118021-35-5

O-(2-AMINOETHYL)-L-SERINE HYDROCHLORIDE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250415 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS118021-35-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

118021-35-5 / (2S)-2-amino-3-(2-aminoethoxy)propanoic acid;hydrochloride

(S)-(+)-2-Amino-3-(2-aminoethoxy)propanoic acid monohydrochloride | RefChem:407601 | 623-343-3

Standard CAS: 118021-35-5 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118021-35-5
Multi CAS
Yes
Molecular Formula
C5H13ClN2O3
Molecular Weight
184.620000
Exact Mass
184.061470
SMILES
C(COC[C@@H](C(=O)O)N)N.Cl
InChI
InChI=1S/C5H12N2O3.ClH/c6-1-2-10-3-4(7)5(8)9;/h4H,1-3,6-7H2,(H,8,9);1H/t4-;/m0./s1
InChIKey
OVHJSRSTAWFIIF-WCCKRBBISA-N
Synonyms
(S)-(+)-2-Amino-3-(2-aminoethoxy)propanoic acid monohydrochloride RefChem:407601 623-343-3 L-4-Oxalysine (hydrochloride) L-4-Oxalysine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.8
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
42.73
TPSA
98.57

LogP / Solubility

WLOGP
-1.2
MLOGP
-1.06
XLogP3
-1.2
Consensus LogP
-1.15
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
-0.2
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.7

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
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

Customers Also Viewed

Get In Touch

Contact Us