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CAS 1255935-12-6 Boc-(+/-)-trans-4-(4-pyridinyl)-pyrrolidine-3-carboxylic acid molecular structure lightbox
CAS RN: 1255935-12-6

Boc-(+/-)-trans-4-(4-pyridinyl)-pyrrolidine-3-carboxylic acid

  • Product code: SSC-030351
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1255935-12-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 1 In Stock Beijing Inquiry
0.1g >95% 1 In Stock Hong Kong Inquiry
0.25g -- 1 In Stock Shanghai Inquiry
0.25g >95% 1 In Stock Hong Kong Inquiry
1g -- 0 Out of Stock Shenzhen Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1255935-12-6 / (3R,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-4-ylpyrrolidine-3-carboxylic acid

Standard CAS: 1255935-12-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1255935-12-6
Multi CAS
No
Molecular Formula
C15H20N2O4
Molecular Weight
292.330000
Exact Mass
292.142307
SMILES
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)C(=O)O)C2=CC=NC=C2
InChI
InChI=1S/C15H20N2O4/c1-15(2,3)21-14(20)17-8-11(12(9-17)13(18)19)10-4-6-16-7-5-10/h4-7,11-12H,8-9H2,1-3H3,(H,18,19)/t11-,12+/m1/s1
InChIKey
MFBDFVFXHFCNQX-NEPJUHHUSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
75.91
TPSA
79.73

LogP / Solubility

WLOGP
2.12
MLOGP
1.87
XLogP3
1.1
Consensus LogP
1.7
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.49
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.56
Class (SILICOS-IT)
Poorly 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

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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