![CAS 957187-37-0 (R)-2-(6-(tert-butoxycarbonyl)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/957187-37-0.gif)
CAS RN: 957187-37-0
(R)-2-(6-(tert-butoxycarbonyl)-8-(3,5-difluorophenyl)-10-oxo-6,9-diazaspiro[4.5]decan-9-yl)acetic acid
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.20251116 | 250mg / 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS957187-37-0
- Purity/Analytical Methods: >99.0%
957187-37-0 / 2-[(8R)-8-(3,5-difluorophenyl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]acetic acid
Basic Information
CAS
957187-37-0
Multi CAS
Yes
Molecular Formula
C21F2H26N2O5
Molecular Weight
424.400000
Exact Mass
424.180978
InChI
InChI=1S/C21H26F2N2O5/c1-20(2,3)30-19(29)25-11-16(13-8-14(22)10-15(23)9-13)24(12-17(26)27)18(28)21(25)6-4-5-7-21/h8-10,16H,4-7,11-12H2,1-3H3,(H,26,27)/t16-/m0/s1
InChIKey
LENNFQOUZCABOS-INIZCTEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
102.59
TPSA
87.15
LogP / Solubility
WLOGP
3.48
MLOGP
3.09
XLogP3
2.8
Consensus LogP
3.12
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
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
Yes
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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