[email protected]
CAS 1262849-90-0 (3R,4S)-4-AMINO-1-BOC-3-PYRROLIDINECARBOXYLIC ACID ETHYL ESTER HCL molecular structure lightbox
CAS RN: 1262849-90-0

(3R,4S)-4-AMINO-1-BOC-3-PYRROLIDINECARBOXYLIC ACID ETHYL ESTER HCL

  • Product code: SSC-033252
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1262849-90-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1262849-90-0 / 1-O-tert-butyl 3-O-ethyl (3R,4S)-4-aminopyrrolidine-1,3-dicarboxylate;hydrochloride

Standard CAS: 1262849-90-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1262849-90-0
Multi CAS
No
Molecular Formula
C12H23ClN2O4
Molecular Weight
294.770000
Exact Mass
294.134635
SMILES
CCOC(=O)[C@@H]1CN(C[C@H]1N)C(=O)OC(C)(C)C.Cl
InChI
InChI=1S/C12H22N2O4.ClH/c1-5-17-10(15)8-6-14(7-9(8)13)11(16)18-12(2,3)4;/h8-9H,5-7,13H2,1-4H3;1H/t8-,9-;/m1./s1
InChIKey
HBFTTYWPCPPDIT-VTLYIQCISA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
73.15
TPSA
81.86

LogP / Solubility

WLOGP
1.17
MLOGP
1.04
XLogP3
1.17
Consensus LogP
1.13
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.78
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us