CAS RN: 1023971-10-9
D-Fudosteine
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.20250323 | 50mg / 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1023971-10-9
- Purity/Analytical Methods: >99.0%
1023971-10-9 / (2S)-2-amino-3-(3-hydroxypropylsulfanyl)propanoic acid
(S)-2-Amino-3-((3-hydroxypropyl)thio)propanoic acid | SCHEMBL28571681 | MFCD20645378
Basic Information
CAS
1023971-10-9
Multi CAS
No
Molecular Formula
C6H13NO3S
Molecular Weight
179.240000
Exact Mass
179.061614
SMILES
C(CO)CSC[C@H](C(=O)O)N
InChI
InChI=1S/C6H13NO3S/c7-5(6(9)10)4-11-3-1-2-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m1/s1
InChIKey
KINWYTAUPKOPCQ-RXMQYKEDSA-N
Synonyms
(S)-2-Amino-3-((3-hydroxypropyl)thio)propanoic acid
SCHEMBL28571681
MFCD20645378
Fudosteine Impurity 21 (S-Fudosteine)
AS-89003
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
44.64
TPSA
83.55
LogP / Solubility
WLOGP
-0.49
MLOGP
-0.43
XLogP3
-3
Consensus LogP
-1.31
Log S (ESOL)
-0.25
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
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)
-4.16
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
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