CAS RN: 706782-28-7
Unii-na83F1sjsr
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.20250910 | 10mg / 50mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS706782-28-7
- Purity/Analytical Methods: >99.0%
706782-28-7 / 2,3-dihydroxybutanedioic acid;1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
Basic Information
CAS
706782-28-7
Multi CAS
Yes
Molecular Formula
C29FH40N3O8
Molecular Weight
577.600000
Exact Mass
577.279943
InChI
InChI=1S/2C25H34FN3O2.C4H6O6/c2*1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21;5-1(3(7)8)2(6)4(9)10/h2*4-11,19,23H,12-18H2,1-3H3,(H,27,30);1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
InChIKey
RGSULKHNAKTFIZ-CEAXSRTFSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Aromatic heavy atom count
12
Fraction Csp3
0.48
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
5
Molar refractivity
148.76
TPSA
159.87
LogP / Solubility
WLOGP
2.54
MLOGP
2.28
XLogP3
2.54
Consensus LogP
2.45
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
N-methyl ,ethyl-Morpholinium bis((trifluoromethyl)sulfonyl)imide
- CAS RN: 706785-83-3
- Product Code: starshine_CAS706785-83-3
- Purity/Analytical method: >99.0%
-
-
-
-
-
Benzoic acid, 3-amino-5-ethoxy-, methyl ester (9CI)
- CAS RN: 706792-04-3
- Product Code: SSC-180414
