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CAS 201212-79-5 H-D-SER(AC)-OH HCL molecular structure lightbox
CAS RN: 201212-79-5

H-D-SER(AC)-OH HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250831 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS201212-79-5
  • Purity/Analytical Methods: >99.0%
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201212-79-5 / (2R)-3-acetyloxy-2-aminopropanoic acid;hydrochloride

Standard CAS: 201212-79-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201212-79-5
Multi CAS
No
Molecular Formula
C5H10ClNO4
Molecular Weight
183.590000
Exact Mass
183.029836
SMILES
CC(=O)OC[C@H](C(=O)O)N.Cl
InChI
InChI=1S/C5H9NO4.ClH/c1-3(7)10-2-4(6)5(8)9;/h4H,2,6H2,1H3,(H,8,9);1H/t4-;/m1./s1
InChIKey
MGQOSZSPKMBSRW-PGMHMLKASA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
39.49
TPSA
89.62

LogP / Solubility

WLOGP
-0.62
MLOGP
-0.54
XLogP3
-0.62
Consensus LogP
-0.59
Log S (ESOL)
-0.39
Class (ESOL)
Very soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-4.28

Drug-likeness / Medicinal Chemistry

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

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