CAS RN: 1013101-36-4
PF-04691502
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260425 | 1mg / 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1013101-36-4
- Purity/Analytical Methods: >99.0%
1013101-36-4 / 2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
2-amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido(2,3-d)pyrimidin-7(8H)-one | 2-amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one | RefChem:909600
Basic Information
CAS
1013101-36-4
Multi CAS
No
Molecular Formula
C22H27N5O4
Molecular Weight
425.500000
Exact Mass
425.206304
SMILES
CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC
InChI
InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)
InChIKey
XDLYKKIQACFMJG-UHFFFAOYSA-N
Synonyms
2-amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido(2,3-d)pyrimidin-7(8H)-one
2-amino-8-(4-(2-hydroxyethoxy)cyclohexyl)-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
RefChem:909600
PF-04691502
PF 04691502
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
16
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
9
H-bond donors
2
Molar refractivity
117.06
TPSA
125.38
LogP / Solubility
WLOGP
2.25
MLOGP
2
XLogP3
1.6
Consensus LogP
1.95
Log S (ESOL)
-3.88
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
1-(2-(methoxymethoxy)ethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
- CAS RN: 1013101-73-9
- Product Code: SSC-002161
-
-
4-Piperidinecarbonitrile, 3-hydroxy-1-(phenylMethyl)-, (3R,4R)-rel-
- CAS RN: 1013333-20-4
- Product Code: starshine_CAS1013333-20-4
- Purity/Analytical method: >99.0%
-
trans-4-(aminomethyl)piperidin-3-ol dihydrochloride
- CAS RN: 1013333-23-7
- Product Code: SSC-002178
-
tert-butyl 6,7-diMethyl-4- oxo-3,4-dihydro-1η-spiro[chroMene-2,4′-piperidine]-1′-carboxylate
- CAS RN: 1013333-61-3
- Product Code: SSC-002182
-
3,5-bis(3-(9H-carbazol-9-yl)phenyl)pyridine
- CAS RN: 1013405-25-8
- Product Code: starshine_CAS1013405-25-8
- Purity/Analytical method: >99.0%
![CAS 1013333-61-3 tert-butyl 6,7-diMethyl-4- oxo-3,4-dihydro-1η-spiro[chroMene-2,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1013333-61-3.gif)
