![CAS 1412254-20-6 1-[(BENZYLOXY)CARBONYL]-3-METHYLPYRROLIDINE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB22615622(1).gif)
CAS RN: 1412254-20-6
1-[(BENZYLOXY)CARBONYL]-3-METHYLPYRROLIDINE-3-CARBOXYLIC 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.20251216 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-051627
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: 1g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
1412254-20-6 / (3S)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
Basic Information
CAS
1412254-20-6
Multi CAS
No
Molecular Formula
C14H17NO4
Molecular Weight
263.290000
Exact Mass
263.115758
SMILES
C[C@@]1(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C14H17NO4/c1-14(12(16)17)7-8-15(10-14)13(18)19-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,16,17)/t14-/m0/s1
InChIKey
PVHTZUOXJDYNBQ-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
68.56
TPSA
66.84
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
1.6
Consensus LogP
1.86
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
amino}pyrrolidine-1-carboxylate molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
benzyl (3s)-3-{[(tert-butoxy)carbonyl](methyl)amino}pyrrolidine-1-carboxylate
- CAS RN: 1412254-93-3
- Product Code: SSC-051628
-
-
-
(11aS)-5-oxide-3,7-bis(3,5-diMethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin
- CAS RN: 1412439-82-7
- Product Code: starshine_CAS1412439-82-7
- Purity/Analytical method: >99.0%
-
(11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis(4-nitrophenyl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide
- CAS RN: 1412439-84-9
- Product Code: starshine_CAS1412439-84-9
- Purity/Analytical method: >99.0%
-
((1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl)methanol
- CAS RN: 1412452-25-5
- Product Code: SSC-051640
amino}pyrrolidine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1412254-93-3.gif)
![CAS 1412439-82-7 (11aS)-5-oxide-3,7-bis(3,5-diMethylphenyl)-10,11,12,13-tetrahydro-5-hydroxy-Diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1412439-82-7.gif)
![CAS 1412439-84-9 (11aS)-10,11,12,13-Tetrahydro-5-hydroxy-3,7-bis(4-nitrophenyl)-diindeno[7,1-de:1′,7′-fg][1,3,2]dioxaphosphocin-5-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1412439-84-9.gif)
![CAS 1412452-25-5 ((1R,5S)-3-oxabicyclo[3.1.0]hexan-1-yl)methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1412452-25-5.gif)