CAS RN: 1087329-67-6
Methyl-pyrrolidin-3-yl-carbaMic acid benzyl 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.20250502 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1087329-67-6
- Purity/Analytical Methods: >99.0%
1087329-67-6 / benzyl N-methyl-N-[(3R)-pyrrolidin-3-yl]carbamate
Methyl-pyrrolidin-3-yl-carbamic acid benzyl ester | Benzyl methyl(pyrrolidin-3-yl)carbamate | benzyl N-methyl-N-pyrrolidin-3-ylcarbamate
Basic Information
CAS
1087329-67-6
Multi CAS
Yes
Molecular Formula
C13H18N2O2
Molecular Weight
234.290000
Exact Mass
234.136828
SMILES
CN([C@@H]1CCNC1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H18N2O2/c1-15(12-7-8-14-9-12)13(16)17-10-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3/t12-/m1/s1
InChIKey
UCJVXPOVNQBUKI-GFCCVEGCSA-N
Synonyms
Methyl-pyrrolidin-3-yl-carbamic acid benzyl ester
Benzyl methyl(pyrrolidin-3-yl)carbamate
benzyl N-methyl-N-pyrrolidin-3-ylcarbamate
SCHEMBL10565202
DTXSID20591046
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.66
TPSA
41.57
LogP / Solubility
WLOGP
1.62
MLOGP
1.43
XLogP3
1.4
Consensus LogP
1.48
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3
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
-
![CAS 1087345-30-9 (11bS)- 2,6-bis[2,6-bis(1-methylethyl)-4-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(11bS)- 2,6-bis[2,6-bis(1-methylethyl)-4-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin
- CAS RN: 1087345-30-9
- Product Code: starshine_CAS1087345-30-9
- Purity/Analytical method: >99.0%
-
-
-
-
1,2,4,5-tetramethyl-1H-pyrrole-3-carbaldehyde(SALTDATA: FREE)
- CAS RN: 1087610-71-6
- Product Code: SSC-010021
-
![CAS 1087345-30-9 (11bS)- 2,6-bis[2,6-bis(1-methylethyl)-4-tricyclo[3.3.1.13,7]dec-1-ylphenyl]-4-hydroxy-4-oxide-Dinaphtho[2,1-d:1′,2′-f][1,3,2]dioxaphosphepin molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1087345-30-9.gif)
