[email protected]
CAS 915100-83-3 [(3R,4S)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]carbamic acid tert-butyl ester molecular structure lightbox
CAS RN: 915100-83-3

[(3R,4S)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]carbamic acid tert-butyl ester

  • Product code: SSC-204723
GET A QUOTE
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: >98%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 915100-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >98% 1 In Stock Shanghai Inquiry
0.25g >98% 1 In Stock Beijing Inquiry
1g >98% 1 In Stock Hong Kong Inquiry

915100-83-3 / tert-butyl N-[(3R,4S)-4-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]carbamate

Standard CAS: 915100-83-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
915100-83-3
Multi CAS
Yes
Molecular Formula
C15F3H19N2O2
Molecular Weight
316.320000
Exact Mass
316.139862
InChI
InChI=1S/C15H19F3N2O2/c1-15(2,3)22-14(21)20-13-7-19-6-9(13)8-4-11(17)12(18)5-10(8)16/h4-5,9,13,19H,6-7H2,1-3H3,(H,20,21)/t9-,13+/m1/s1
InChIKey
GFGKGVWIXYSGKW-RNCFNFMXSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
75.08
TPSA
50.36

LogP / Solubility

WLOGP
2.68
MLOGP
2.38
XLogP3
2.4
Consensus LogP
2.49
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us