CAS RN: 1187931-76-5
(S)-3-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
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.20250924 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1187931-76-5
- Purity/Analytical Methods: >99.0%
1187931-76-5 / tert-butyl (3S)-3-(cyanomethyl)pyrrolidine-1-carboxylate
(R)-tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate | 3(R)-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER | Tert-butyl (3R)-3-(cyanomethyl)pyrrolidine-1-carboxylate
Basic Information
CAS
1187931-76-5
Multi CAS
Yes
Molecular Formula
C11H18N2O2
Molecular Weight
210.270000
Exact Mass
210.136828
SMILES
CC(C)(C)OC(=O)N1CC[C@H](C1)CC#N
InChI
InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3/t9-/m1/s1
InChIKey
IPLBXZOFLWOERN-SECBINFHSA-N
Synonyms
(R)-tert-Butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
3(R)-CYANOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Tert-butyl (3R)-3-(cyanomethyl)pyrrolidine-1-carboxylate
MFCD06738466
SCHEMBL15626878
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
56.14
TPSA
53.33
LogP / Solubility
WLOGP
2.16
MLOGP
1.9
XLogP3
1.2
Consensus LogP
1.75
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
Quinolin-5-ylMethanaMine hydrochloride
- CAS RN: 1187931-81-2
- Product Code: starshine_CAS1187931-81-2
- Purity/Analytical method: >99.0%
-
1-(5-METHYL-PYRIDIN-2-YL)-ETHYLAMINE DIHYDROCHLORIDE
- CAS RN: 1187931-95-8
- Product Code: SSC-018851
-
Pyrazolo[1,5-a]pyridin-3-ylmethanamine hydrochloride
- CAS RN: 1187932-00-8
- Product Code: starshine_CAS1187932-00-8
- Purity/Analytical method: >99.0%
-
-
(S)-tert-butyl 1-(2-broMophenyl)ethylcarbaMate
- CAS RN: 1187932-11-1
- Product Code: SSC-018853
-
2-Amino-2-(3-methoxy-phenyl)-ethanol hydrochloride
- CAS RN: 1187932-17-7
- Product Code: SSC-018854
![CAS 1187932-00-8 Pyrazolo[1,5-a]pyridin-3-ylmethanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1187932-00-8.gif)
