![CAS 1187830-78-9 Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyriMidin-4-yl)-acetate HCl molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187830-78-9.gif)
CAS RN: 1187830-78-9
Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyriMidin-4-yl)-acetate HCl
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250823 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1187830-78-9
- Purity/Analytical Methods: >99.0%
1187830-78-9 / ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate;hydrochloride
Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate hydrochloride | Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate HCl | MFCD11973818
Basic Information
CAS
1187830-78-9
Multi CAS
No
Molecular Formula
C11H16ClN3O2
Molecular Weight
257.720000
Exact Mass
257.093105
SMILES
CCOC(=O)CC1=NC=NC2=C1CNCC2.Cl
InChI
InChI=1S/C11H15N3O2.ClH/c1-2-16-11(15)5-10-8-6-12-4-3-9(8)13-7-14-10;/h7,12H,2-6H2,1H3;1H
InChIKey
BLTIZFCRGSQQEN-UHFFFAOYSA-N
Synonyms
Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate hydrochloride
Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate HCl
MFCD11973818
ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetate;hydrochloride
Ethyl 2-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)acetatehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.03
TPSA
64.11
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
XLogP3
0.65
Consensus LogP
0.63
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.23
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)
-3.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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