CAS RN: 259270-28-5
FP-Biotin
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260501 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS259270-28-5
- Purity/Analytical Methods: >99.0%
259270-28-5 / 10-[ethoxy(fluoro)phosphoryl]-N-[5-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]pentyl]decanamide
Basic Information
CAS
259270-28-5
Multi CAS
No
Molecular Formula
C27H50FN4O5PS
Molecular Weight
592.700000
Exact Mass
592.322357
SMILES
CCOP(=O)(CCCCCCCCCC(=O)NCCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)F
InChI
InChI=1S/C27H50FN4O5PS/c1-2-37-38(28,36)20-14-7-5-3-4-6-9-16-24(33)29-18-12-8-13-19-30-25(34)17-11-10-15-23-26-22(21-39-23)31-27(35)32-26/h22-23,26H,2-21H2,1H3,(H,29,33)(H,30,34)(H2,31,32,35)
InChIKey
ZIFSFLGSUTZFCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
39
Fraction Csp3
0.89
Rotatable bonds
23
H-bond acceptors
6
H-bond donors
4
Molar refractivity
155.97
TPSA
125.63
LogP / Solubility
WLOGP
5.43
MLOGP
4.83
XLogP3
3.7
Consensus LogP
4.65
Log S (ESOL)
-5.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.48
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6
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