![CAS 328086-54-0 (2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328086-54-0.gif)
CAS RN: 328086-54-0
(2E,4S)-4-[(tert-Butyloxycarbonyl)aMino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Eethyl Ester
- Product code: SSC-138532
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
328086-54-0 / ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate
Basic Information
CAS
328086-54-0
Multi CAS
Yes
Molecular Formula
C16H26N2O5
Molecular Weight
326.390000
Exact Mass
326.184172
InChI
InChI=1S/C16H26N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h6-7,11-12H,5,8-10H2,1-4H3,(H,17,20)(H,18,21)/b7-6+/t11-,12+/m0/s1
InChIKey
FLAJQFOSRMJUDQ-FNSAGKMKSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.69
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
2
Molar refractivity
84.66
TPSA
93.73
LogP / Solubility
WLOGP
1.53
MLOGP
1.36
XLogP3
1.2
Consensus LogP
1.36
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-3.63
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
3.5
Customers Also Viewed
-
(4R)-N-(tert-Butyloxycarbonyl)-4-(cyanoMethyl)-L-glutaMic Acid 1,5-DiMethyl Ester
- CAS RN: 328086-57-3
- Product Code: SSC-138533
-
Methyl (S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate
- CAS RN: 328086-60-8
- Product Code: SSC-138534
-
(2E,4S)-4-AMino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester
- CAS RN: 328086-61-9
- Product Code: SSC-138535
-
4-(6-Fluorobenzo[d]thiazol-2-yl)benzenaMine
- CAS RN: 328087-15-6
- Product Code: starshine_CAS328087-15-6
- Purity/Analytical method: >99.0%
-
Phortress
- CAS RN: 328087-38-3
- Product Code: starshine_CAS328087-38-3
- Purity/Analytical method: >99.0%
-
5-(MORPHOLINE-4-SULFONYL)-2-PYRROLIDIN-1-YL-PHENYLAMINE
- CAS RN: 328106-72-5
- Product Code: SSC-138538
![CAS 328086-60-8 Methyl (S)-2-(Boc-amino)-3-[(S)-2-oxo-3-pyrrolidinyl]propanoate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328086-60-8.gif)
![CAS 328086-61-9 (2E,4S)-4-AMino-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic Acid Ethyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328086-61-9.gif)
![CAS 328087-15-6 4-(6-Fluorobenzo[d]thiazol-2-yl)benzenaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/328087-15-6.gif)
.gif)