![CAS 911636-87-8 2,4-bis-trifluoromethyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7(8H)-carboxylic acid t-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/911636-87-8.gif)
CAS RN: 911636-87-8
2,4-bis-trifluoromethyl-5,8-dihydro-6H-pyrido[3,4-d]pyrimidine-7(8H)-carboxylic acid t-butyl ester
- Product code: SSC-204034
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | >95% | 0 Out of Stock | Hong Kong | Inquiry |
911636-87-8 / tert-butyl 2,4-bis(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
Basic Information
CAS
911636-87-8
Multi CAS
No
Molecular Formula
C14F6H15N3O2
Molecular Weight
371.280000
Exact Mass
371.106846
InChI
InChI=1S/C14H15F6N3O2/c1-12(2,3)25-11(24)23-5-4-7-8(6-23)21-10(14(18,19)20)22-9(7)13(15,16)17/h4-6H2,1-3H3
InChIKey
IMJVLGIFJUPNEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.38
TPSA
55.32
LogP / Solubility
WLOGP
3.81
MLOGP
3.37
XLogP3
2.8
Consensus LogP
3.33
Log S (ESOL)
-4.72
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Ethyl 1-(4-Bromophenyl)-1H-Imidazole-5-Carboxylate
- CAS RN: 911641-38-8
- Product Code: starshine_CAS911641-38-8
- Purity/Analytical method: >99.0%
-
-
1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)-
- CAS RN: 911715-90-7
- Product Code: starshine_CAS911715-90-7
- Purity/Analytical method: >99.0%
-
1-(3-methanesulfonylphenyl)ethan-1-ol
- CAS RN: 911715-97-4
- Product Code: starshine_CAS911715-97-4
- Purity/Analytical method: >99.0%
-
-
![CAS 911715-90-7 1-Pentanol, 2-[[2-aMino-5-[[(1S)-1-phenylethyl]thio]thiazolo[4,5-d]pyriMidin-7-yl]aMino]-4-Methyl-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/911715-90-7.gif)
