![CAS 909725-61-7 [(3R)-3-aMino-4-[(3-hexylphenyl)aMino]-4-oxobutyl]-phosphonic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/909725-61-7.gif)
CAS RN: 909725-61-7
[(3R)-3-aMino-4-[(3-hexylphenyl)aMino]-4-oxobutyl]-phosphonic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251013 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS909725-61-7
- Purity/Analytical Methods: >99.0%
909725-61-7 / [(3R)-3-amino-4-(3-hexylanilino)-4-oxobutyl]phosphonic acid
Basic Information
CAS
909725-61-7
Multi CAS
Yes
Molecular Formula
C16H27N2O4P
Molecular Weight
342.370000
Exact Mass
342.170844
InChI
InChI=1S/C16H27N2O4P/c1-2-3-4-5-7-13-8-6-9-14(12-13)18-16(19)15(17)10-11-23(20,21)22/h6,8-9,12,15H,2-5,7,10-11,17H2,1H3,(H,18,19)(H2,20,21,22)/t15-/m1/s1
InChIKey
FWJRVGZWNDOOFH-OAHLLOKOSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
4
Molar refractivity
92.42
TPSA
112.65
LogP / Solubility
WLOGP
2.64
MLOGP
2.34
XLogP3
-0.6
Consensus LogP
1.46
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
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
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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