[email protected]
CAS 2387-59-9 S-Carboxymethyl-L-cysteine molecular structure lightbox
CAS RN: 2387-59-9

S-Carboxymethyl-L-cysteine

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260125 5mg / 100mg / 500mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS2387-59-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

2387-59-9 / 2-amino-3-(carboxymethylsulfanyl)propanoic acid

Standard CAS: 2387-59-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
2387-59-9
Multi CAS
No
Molecular Formula
C5H9NO4S
Molecular Weight
179.200000
Exact Mass
179.025229
SMILES
C(C(C(=O)O)N)SCC(=O)O
InChI
InChI=1S/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
InChIKey
GBFLZEXEOZUWRN-UHFFFAOYSA-N

Physical Properties

Melting Point
204 - 207 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
3
Molar refractivity
40.57
TPSA
100.62

LogP / Solubility

WLOGP
-0.78
MLOGP
-0.69
XLogP3
-3.1
Consensus LogP
-1.52
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
-0.46
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.77
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)
-4.37

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us