CAS RN: 1821832-73-8
(R)-1-(PYRIMIDIN-2-YL)PYRROLIDINE-2-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.20251014 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1821832-73-8
- Purity/Analytical Methods: >99.0%
1821832-73-8 / (2R)-1-pyrimidin-2-ylpyrrolidine-2-carboxylic acid
Basic Information
CAS
1821832-73-8
Multi CAS
No
Molecular Formula
C9H11N3O2
Molecular Weight
193.200000
Exact Mass
193.085127
SMILES
C1C[C@@H](N(C1)C2=NC=CC=N2)C(=O)O
InChI
InChI=1S/C9H11N3O2/c13-8(14)7-3-1-6-12(7)9-10-4-2-5-11-9/h2,4-5,7H,1,3,6H2,(H,13,14)/t7-/m1/s1
InChIKey
UKGYNTRXPAKSOG-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
50.04
TPSA
66.32
LogP / Solubility
WLOGP
0.53
MLOGP
0.47
XLogP3
0.8
Consensus LogP
0.6
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
(2R)-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid
- CAS RN: 1821837-11-9
- Product Code: starshine_CAS1821837-11-9
- Purity/Analytical method: >99.0%
-
-
SGC2085
- CAS RN: 1821908-49-9
- Product Code: starshine_CAS1821908-49-9
- Purity/Analytical method: >99.0%
-
-
(1R)-2-METHYL-1-PHENYLBUTAN-1-AMINE HCL
- CAS RN: 1822318-01-3
- Product Code: starshine_CAS1822318-01-3
- Purity/Analytical method: >99.0%
![CAS 1821837-11-9 (2R)-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1821837-11-9.gif)
