Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
- Available purity: >98%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 0.25g | >98% | 2 In Stock | Shanghai | Inquiry |
| 1g | >98% | 2 In Stock | Shanghai | Inquiry |
| 5g | >98% | 2 In Stock | Shenzhen | Inquiry |
| 10g | >98% | 2 In Stock | Shanghai | Inquiry |
| 25g | >98% | 2 In Stock | Hong Kong | Inquiry |
171738-41-3 / benzyl (2S)-2-carbamoyl-5-oxopyrrolidine-1-carboxylate
Basic Information
CAS
171738-41-3
Multi CAS
No
Molecular Formula
C13H14N2O4
Molecular Weight
262.260000
Exact Mass
262.095357
SMILES
C1CC(=O)N([C@@H]1C(=O)N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H14N2O4/c14-12(17)10-6-7-11(16)15(10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,17)/t10-/m0/s1
InChIKey
LGUWGZWVSGLKLN-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.31
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.69
TPSA
89.7
LogP / Solubility
WLOGP
0.8
MLOGP
0.71
XLogP3
0.4
Consensus LogP
0.64
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.75
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
-
GGTI-286
- CAS RN: 171744-11-9
- Product Code: starshine_CAS171744-11-9
- Purity/Analytical method: >99.0%
-
4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid
- CAS RN: 171746-21-7
- Product Code: starshine_CAS171746-21-7
- Purity/Analytical method: >99.0%
-
(1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE
- CAS RN: 171752-68-4
- Product Code: SSC-075597
-
-
-
(1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
- CAS RN: 171754-03-3
- Product Code: starshine_CAS171754-03-3
- Purity/Analytical method: >99.0%
![CAS 171746-21-7 4-{[5,5-dimethyl-8-(4-methylphenyl)-5,6-dihydronaphthalen-2-yl]ethynyl}benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171746-21-7.gif)
![CAS 171752-68-4 (1R,3R)-9H-PYRIDO[3,4-B]INDOLE-3-CARBOXYLIC ACID, 1,2,3,4-TETRAHYDRO-1-(3,4-METHYLENEDIOXYPH ENYL), METHYL ESTER, HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171752-68-4.gif)
![CAS 171754-03-3 (1S,3R,4R)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/171754-03-3.gif)