CAS RN: 39058-44-1
BUTYROPHENONE-2′,3′,4′,5′,6′-D5
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.20250629 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS39058-44-1
- Purity/Analytical Methods: >99.0%
39058-44-1 / 1-(2,3,4,5,6-pentadeuteriophenyl)butan-1-one
Basic Information
CAS
39058-44-1
Multi CAS
Yes
Molecular Formula
C10H12O
Molecular Weight
153.230000
Exact Mass
153.120199
InChI
InChI=1S/C10H12O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3/i3D,4D,5D,7D,8D
InChIKey
FFSAXUULYPJSKH-LOOCXSPQSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
45.68
TPSA
17.07
LogP / Solubility
WLOGP
2.67
MLOGP
2.34
XLogP3
2.5
Consensus LogP
2.5
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-CHLORONAPHTHALIMIDE
- CAS RN: 39061-32-0
- Product Code: starshine_CAS39061-32-0
- Purity/Analytical method: >99.0%
-
-
-
-
2-CYANO-6-PHENYLPYRIDINE
- CAS RN: 39065-47-9
- Product Code: starshine_CAS39065-47-9
- Purity/Analytical method: >99.0%
