CAS RN: 653592-04-2
MT-DADMe-ImmA
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250921 | 100mg | Out of stock | Inquiry | |
| Batchno.20250805 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20250725 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20251228 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250831 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20251130 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS653592-04-2
- Purity/Analytical Methods: >99.0%
653592-04-2 / (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(methylsulfanylmethyl)pyrrolidin-3-ol
Basic Information
CAS
653592-04-2
Multi CAS
Yes
Molecular Formula
C13H19N5OS
Molecular Weight
293.390000
Exact Mass
293.131031
InChI
InChI=1S/C13H19N5OS/c1-20-6-9-4-18(5-10(9)19)3-8-2-15-12-11(8)16-7-17-13(12)14/h2,7,9-10,15,19H,3-6H2,1H3,(H2,14,16,17)/t9-,10+/m1/s1
InChIKey
NTHMDFGHOCNNOE-ZJUUUORDSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
3
Molar refractivity
81.46
TPSA
91.06
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
Consensus LogP
0.44
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately 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)
-4.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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