CAS RN: 1009335-43-6
(2R,4R)-2-HYDROXYMETHYL-4-BOC-AMINO PYRROLIDINE-HCL
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.20250619 | 100mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1009335-43-6
- Purity/Analytical Methods: >99.0%
1009335-43-6 / tert-butyl N-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate
tert-Butyl ((3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate | tert-butyl N-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate | Carbamic acid, N-[(3R,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
Basic Information
CAS
1009335-43-6
Multi CAS
Yes
Molecular Formula
C10H20N2O3
Molecular Weight
216.280000
Exact Mass
216.147393
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC1)CO
InChI
InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-7-4-8(6-13)11-5-7/h7-8,11,13H,4-6H2,1-3H3,(H,12,14)/t7-,8-/m1/s1
InChIKey
DWYPGXBZFDWCPC-HTQZYQBOSA-N
Synonyms
tert-Butyl ((3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl)carbamate
tert-butyl N-[(3R,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]carbamate
Carbamic acid, N-[(3R,5R)-5-(hydroxymethyl)-3-pyrrolidinyl]-, 1,1-dimethylethyl ester
TERT-BUTYL (3R,5R)-5-(HYDROXYMETHYL)PYRROLIDIN-3-YLCARBAMATE
MFCD08704539
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
56.65
TPSA
70.59
LogP / Solubility
WLOGP
0.23
MLOGP
0.21
XLogP3
0.1
Consensus LogP
0.18
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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