CAS RN: 30845-11-5
S-(3-Carboxypropyl)-L-cysteine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250801 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS30845-11-5
- Purity/Analytical Methods: >99.0%
30845-11-5 / 4-(2-amino-2-carboxyethyl)sulfanylbutanoic acid
Basic Information
CAS
30845-11-5
Multi CAS
Yes
Molecular Formula
C7H13NO4S
Molecular Weight
207.250000
Exact Mass
207.056529
InChI
InChI=1S/C7H13NO4S/c8-5(7(11)12)4-13-3-1-2-6(9)10/h5H,1-4,8H2,(H,9,10)(H,11,12)
InChIKey
WNFNRNDFHINZLV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
3
Molar refractivity
49.81
TPSA
100.62
LogP / Solubility
XLogP3
-2.9
Consensus LogP
-0.97
Log S (ESOL)
-0.66
Class (ESOL)
Very soluble
Log S (Ali)
-1.26
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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- Purity/Analytical method: >99.0%
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