![CAS 147126-75-8 [1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147126-75-8.gif)
CAS RN: 147126-75-8
[1R-[1(2S*,5R*),2beta,5alpha]]-5-(4-Amino-5-fluoro-2-oxo-1(2H)-pyrimidinyl)-1,3-oxathiolane-2-carboxylic acid 5-methyl-2-(1-methylethyl)cyclohexyl ester
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251008 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS147126-75-8
- Purity/Analytical Methods: >99.0%
147126-75-8 / (5-methyl-2-propan-2-ylcyclohexyl) 5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)-1,3-oxathiolane-2-carboxylate
Basic Information
CAS
147126-75-8
Multi CAS
No
Molecular Formula
C18H26FN3O4S
Molecular Weight
399.500000
Exact Mass
399.162806
SMILES
CC1CCC(C(C1)OC(=O)C2OC(CS2)N3C=C(C(=NC3=O)N)F)C(C)C
InChI
InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)
InChIKey
AUTCQXVTOIJYOT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
6
Fraction Csp3
0.72
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
100.46
TPSA
96.44
LogP / Solubility
WLOGP
2.56
MLOGP
2.27
XLogP3
3.2
Consensus LogP
2.68
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
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