![CAS 46155-89-9 1,3-DiMethyl-1H-pyrrolo[3,2-d]pyriMidine-2,4(3H,5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/46155-89-9.gif)
CAS RN: 46155-89-9
1,3-DiMethyl-1H-pyrrolo[3,2-d]pyriMidine-2,4(3H,5H)-dione
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.20250519 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS46155-89-9
- Purity/Analytical Methods: >99.0%
46155-89-9 / 1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Basic Information
CAS
46155-89-9
Multi CAS
Yes
Molecular Formula
C8H9N3O2
Molecular Weight
179.180000
Exact Mass
179.069477
InChI
InChI=1S/C8H9N3O2/c1-10-5-3-4-9-6(5)7(12)11(2)8(10)13/h3-4,9H,1-2H3
InChIKey
XLSXPKZIKMPZHK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.25
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.78
TPSA
59.79
LogP / Solubility
WLOGP
-0.43
MLOGP
-0.39
XLogP3
-0.1
Consensus LogP
-0.31
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.46
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3-(1H-INDOL-1-YL)PROPAN-1-AMINE HYDROCHLORIDE
- CAS RN: 46170-17-6
- Product Code: SSC-153712
-
2-ETHOXY-8-METHOXYQUINOLINE
- CAS RN: 46185-83-5
- Product Code: starshine_CAS46185-83-5
- Purity/Analytical method: >99.0%
-
-
2,4-dichloro-N-isopropylbenzylamine
- CAS RN: 46190-62-9
- Product Code: starshine_CAS46190-62-9
- Purity/Analytical method: >99.0%
-
1H-Benzimidazol-5-amine,2-propyl-(9CI)
- CAS RN: 46192-58-9
- Product Code: starshine_CAS46192-58-9
- Purity/Analytical method: >99.0%
