![CAS 1187830-46-1 6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-46-1.gif)
CAS RN: 1187830-46-1
6,7-Dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250413 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-018741
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1187830-46-1 / 6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride | 5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride | MFCD11846189
Basic Information
CAS
1187830-46-1
Multi CAS
No
Molecular Formula
C6H8ClN3
Molecular Weight
157.600000
Exact Mass
157.040675
SMILES
C1C2=CN=CN=C2CN1.Cl
InChI
InChI=1S/C6H7N3.ClH/c1-5-2-8-4-9-6(5)3-7-1;/h2,4,7H,1,3H2;1H
InChIKey
WDFQZHPCXADCEZ-UHFFFAOYSA-N
Synonyms
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
5H,6H,7H-pyrrolo[3,4-d]pyrimidine hydrochloride
MFCD11846189
6,7-DIHYDRO-5H-PYRROLO[3,4-D]PYRIMIDINE HCL
6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.82
TPSA
37.81
LogP / Solubility
WLOGP
0.5
MLOGP
0.44
XLogP3
0.5
Consensus LogP
0.48
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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