![CAS 871700-32-2 3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-diMethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyriMidin-5-yl 4-Methylbenzenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/871700-32-2.gif)
CAS RN: 871700-32-2
3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-diMethyl-2,4,7-trioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyriMidin-5-yl 4-Methylbenzenesulfonate
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.20250709 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS871700-32-2
- Purity/Analytical Methods: >99.0%
871700-32-2 / [3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6,8-dimethyl-2,4,7-trioxopyrido[2,3-d]pyrimidin-5-yl] 4-methylbenzenesulfonate
Basic Information
CAS
871700-32-2
Multi CAS
Yes
Molecular Formula
C25FH21In3O6S
Molecular Weight
637.400000
Exact Mass
637.017980
InChI
InChI=1S/C25H21FIN3O6S/c1-13-4-9-17(10-5-13)37(34,35)36-21-14(2)23(31)28(3)22-20(21)24(32)29(16-7-8-16)25(33)30(22)19-11-6-15(27)12-18(19)26/h4-6,9-12,16H,7-8H2,1-3H3
InChIKey
RCCOZJPSLZNDFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
22
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
9
Molar refractivity
143.72
TPSA
109.37
LogP / Solubility
WLOGP
3.31
MLOGP
2.97
XLogP3
3.6
Consensus LogP
3.29
Log S (ESOL)
-5.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.15
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
Bacopaside N1
- CAS RN: 871706-74-0
- Product Code: starshine_CAS871706-74-0
- Purity/Analytical method: >99.0%
-
Bacopaside N2
- CAS RN: 871706-75-1
- Product Code: starshine_CAS871706-75-1
- Purity/Analytical method: >99.0%
-
-
-
Benzenemethanamine, .alpha.-methyl-4-(1H-pyrazol-1-yl)-, (.alpha.R)-
- CAS RN: 871721-01-6
- Product Code: SSC-196819
-
