CAS RN: 30986-62-0
thiazolidine-2,4-dicarboxylic, acid compound with L-arginine (1:1)
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250515 | 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS30986-62-0
- Purity/Analytical Methods: >99.0%
30986-62-0 / (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;1,3-thiazolidine-2,4-dicarboxylic acid
Basic Information
CAS
30986-62-0
Multi CAS
Yes
Molecular Formula
C11H21N5O6S
Molecular Weight
351.380000
Exact Mass
351.121255
InChI
InChI=1S/C6H14N4O2.C5H7NO4S/c7-4(5(11)12)2-1-3-10-6(8)9;7-4(8)2-1-11-3(6-2)5(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);2-3,6H,1H2,(H,7,8)(H,9,10)/t4-;/m0./s1
InChIKey
LUCWYYXUZVULSK-WCCKRBBISA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.64
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
7
Molar refractivity
83.96
TPSA
214.35
LogP / Solubility
WLOGP
-2.36
MLOGP
-2.06
XLogP3
-2.36
Consensus LogP
-2.26
Log S (ESOL)
-0.07
Class (ESOL)
Very soluble
Log S (Ali)
-0.74
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.82
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)
-6.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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