CAS RN: 666842-36-0
KGA2727
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250121 | 5mg / 10mg / 25mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS666842-36-0
- Purity/Analytical Methods: >99.0%
666842-36-0 / 3-[3-[3-methyl-4-[[5-propan-2-yl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-pyrazol-4-yl]methyl]phenoxy]propylamino]propanamide
Basic Information
CAS
666842-36-0
Multi CAS
Yes
Molecular Formula
C26H40N4O8
Molecular Weight
536.600000
Exact Mass
536.284614
InChI
InChI=1S/C26H40N4O8/c1-14(2)21-18(25(30-29-21)38-26-24(35)23(34)22(33)19(13-31)37-26)12-16-5-6-17(11-15(16)3)36-10-4-8-28-9-7-20(27)32/h5-6,11,14,19,22-24,26,28,31,33-35H,4,7-10,12-13H2,1-3H3,(H2,27,32)(H,29,30)/t19-,22-,23+,24-,26+/m1/s1
InChIKey
MDBARDSTXONTFS-MNDUUMEHSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
7
Molar refractivity
137.85
TPSA
192.41
LogP / Solubility
WLOGP
-0.16
MLOGP
-0.1
XLogP3
0.6
Consensus LogP
0.11
Log S (ESOL)
-2.36
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5
Customers Also Viewed
-
![CAS 666847-54-7 2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine
- CAS RN: 666847-54-7
- Product Code: starshine_CAS666847-54-7
- Purity/Analytical method: >99.0%
-
5′-O-(TERT-BUTYLDIMETHYLSILYL)-5-IODO-2′-DEOXYCYTIDINE
- CAS RN: 666848-11-9
- Product Code: starshine_CAS666848-11-9
- Purity/Analytical method: >99.0%
-
Bis[2-(di-i-propylphosphino)-4-methylphenyl]amine
- CAS RN: 666856-94-6
- Product Code: SSC-176379
-
Oxirane, [4-(1-methylethyl)phenyl]-, (2S)- (9CI)
- CAS RN: 666859-62-7
- Product Code: SSC-176381
-
-
PG 931
- CAS RN: 667430-81-1
- Product Code: starshine_CAS667430-81-1
- Purity/Analytical method: >99.0%
![CAS 666847-54-7 2′-Deoxy-5′-O-[(1,1-dimethylethyl)dimethylsilyl]-5-[3-[(trifluoroacetyl)amino]-1-propyn-1-yl]-uridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666847-54-7.gif)
![CAS 666856-94-6 Bis[2-(di-i-propylphosphino)-4-methylphenyl]amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666856-94-6.gif)
![CAS 666859-62-7 Oxirane, [4-(1-methylethyl)phenyl]-, (2S)- (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/666859-62-7.gif)
