![CAS 220241-60-1 (3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220241-60-1.gif)
CAS RN: 220241-60-1
(3aR,4S,6R,6aS)-6-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol
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.20260106 | 10mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS220241-60-1
- Purity/Analytical Methods: >99.0%
220241-60-1 / (3aR,4S,6R,6aS)-6-[(5-amino-6-chloro-2-propylsulfanylpyrimidin-4-yl)amino]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol
Basic Information
CAS
220241-60-1
Multi CAS
No
Molecular Formula
C15H23ClN4O3S
Molecular Weight
374.900000
Exact Mass
374.117940
SMILES
CCCSC1=NC(=C(C(=N1)Cl)N)N[C@@H]2C[C@@H]([C@@H]3[C@H]2OC(O3)(C)C)O
InChI
InChI=1S/C15H23ClN4O3S/c1-4-5-24-14-19-12(16)9(17)13(20-14)18-7-6-8(21)11-10(7)22-15(2,3)23-11/h7-8,10-11,21H,4-6,17H2,1-3H3,(H,18,19,20)/t7-,8+,10+,11-/m1/s1
InChIKey
ZFIOCHSHJADREN-YKDSUIRESA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.73
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
3
Molar refractivity
94.33
TPSA
102.52
LogP / Solubility
WLOGP
2.28
MLOGP
2.03
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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
No
Log Kp (skin permeation)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
Customers Also Viewed
-
Carbamic acid, (3-oxiranylpropyl)-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 220243-54-9
- Product Code: starshine_CAS220243-54-9
- Purity/Analytical method: >99.0%
-
(R)-N-Acetyl-6-(4-aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
- CAS RN: 220246-81-1
- Product Code: starshine_CAS220246-81-1
- Purity/Analytical method: >99.0%
-
1,2,3,4-TETRAHYDRO-ISOQUINOLINE-7-CARBOXYLIC ACID METHYL ESTER HCL
- CAS RN: 220247-69-8
- Product Code: SSC-105947
-
1,2,3,4-TETRAHYDROISOQUINOLINE-7-CARBOXYLIC ACID HYDROCHLORIDE
- CAS RN: 220247-71-2
- Product Code: SSC-105948
-
7-BROMO-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE
- CAS RN: 220247-73-4
- Product Code: SSC-105949
-
7-TRIFLUOROMETHYL-1,2,3,4-TETRAHYDRO-ISOQUINOLINE HYDROCHLORIDE
- CAS RN: 220247-87-0
- Product Code: SSC-105950
