CAS RN: 71447-81-9
Z-ABU-OSU
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.20250321 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS71447-81-9
- Purity/Analytical Methods: >99.0%
71447-81-9 / (2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)butanoate
Basic Information
CAS
71447-81-9
Multi CAS
Yes
Molecular Formula
C16H18N2O6
Molecular Weight
334.320000
Exact Mass
334.116486
InChI
InChI=1S/C16H18N2O6/c1-2-12(15(21)24-18-13(19)8-9-14(18)20)17-16(22)23-10-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3,(H,17,22)
InChIKey
URUMIJQEKNQEHN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
1
Molar refractivity
81.02
TPSA
102.01
LogP / Solubility
WLOGP
1.3
MLOGP
1.16
XLogP3
1.4
Consensus LogP
1.29
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.24
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly 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)
-3.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
(2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester
- CAS RN: 71460-02-1
- Product Code: SSC-181044
-
2α-Formylpyrrolidine-1-carboxylic acid benzyl ester
- CAS RN: 71461-30-8
- Product Code: starshine_CAS71461-30-8
- Purity/Analytical method: >99.0%
-
-
![CAS 71460-02-1 (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-pentynoic acid methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71460-02-1.gif)
