![CAS 1000578-08-4 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1000578-08-4.gif)
CAS RN: 1000578-08-4
2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine HCl salt
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251211 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1000578-08-4
- Purity/Analytical Methods: >99.0%
1000578-08-4 / 2,4-dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
1000578-08-4 | 2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine | 2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine
Basic Information
CAS
1000578-08-4
Multi CAS
Yes
Molecular Formula
C7H7Cl2N3
Molecular Weight
204.050000
Exact Mass
203.001703
SMILES
C1CNCC2=C1C(=NC(=N2)Cl)Cl
InChI
InChI=1S/C7H7Cl2N3/c8-6-4-1-2-10-3-5(4)11-7(9)12-6/h10H,1-3H2
InChIKey
IPSIICUFLIHDCA-UHFFFAOYSA-N
Synonyms
1000578-08-4
2,4-Dichloro-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
2,4-dichloro-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine
MFCD09835496
Pyrido[3,4-d]pyriMidine, 2,4-dichloro-5,6,7,8-tetrahydro-
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.43
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.46
TPSA
37.81
LogP / Solubility
WLOGP
1.43
MLOGP
1.26
XLogP3
1.6
Consensus LogP
1.43
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-2.95
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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