![CAS 1187830-76-7 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyriMidine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-76-7.gif)
CAS RN: 1187830-76-7
2,4-dichloro-5,6,7,8-tetrahydropyrido[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.20260604 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-018756
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 | Beijing | Inquiry |
1187830-76-7 / 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride | 2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride | MFCD11518996
Basic Information
CAS
1187830-76-7
Multi CAS
Yes
Molecular Formula
C7H8Cl3N3
Molecular Weight
240.500000
Exact Mass
238.978380
SMILES
C1CNCC2=C1C(=NC(=N2)Cl)Cl.Cl
InChI
InChI=1S/C7H7Cl2N3.ClH/c8-6-4-1-2-10-3-5(4)11-7(9)12-6;/h10H,1-3H2;1H
InChIKey
WKHCVPUVLRBFNT-UHFFFAOYSA-N
Synonyms
2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine hydrochloride
2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine hydrochloride
MFCD11518996
2,4-DICHLORO-5,6,7,8-TETRAHYDROPYRIDO[3,4-D]PYRIMIDINE HCL
2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.71
TPSA
37.81
LogP / Solubility
WLOGP
1.85
MLOGP
1.63
XLogP3
1.85
Consensus LogP
1.78
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately 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)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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