![CAS 869198-95-8 YRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 2-AMINO-7,8-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/869198-95-8.gif)
CAS RN: 869198-95-8
YRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLIC ACID, 2-AMINO-7,8-DIHYDRO-, 1,1-DIMETHYLETHYL ESTER
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.20260105 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-196244
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: 5g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5g | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
869198-95-8 / tert-butyl 2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Basic Information
CAS
869198-95-8
Multi CAS
No
Molecular Formula
C12H18N4O2
Molecular Weight
250.300000
Exact Mass
250.142976
InChI
InChI=1S/C12H18N4O2/c1-12(2,3)18-11(17)16-5-4-9-8(7-16)6-14-10(13)15-9/h6H,4-5,7H2,1-3H3,(H2,13,14,15)
InChIKey
PGNLVGKPNUNOJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
66.79
TPSA
81.34
LogP / Solubility
WLOGP
1.35
MLOGP
1.2
XLogP3
0.6
Consensus LogP
1.05
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.41
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.29
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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