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CAS 503165-94-4 (3S,4R)-1-(tert-butoxycarbonyl)-4-(methoxycarbonyl)pyrrolidine-3-carboxylicacid(WX191649) molecular structure lightbox
CAS RN: 503165-94-4

(3S,4R)-1-(tert-butoxycarbonyl)-4-(methoxycarbonyl)pyrrolidine-3-carboxylicacid(WX191649)

  • Product code: SSC-156768
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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: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 503165-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

503165-94-4 / (3S,4R)-4-methoxycarbonyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid

Standard CAS: 503165-94-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
503165-94-4
Multi CAS
Yes
Molecular Formula
C12H19NO6
Molecular Weight
273.280000
Exact Mass
273.121237
InChI
InChI=1S/C12H19NO6/c1-12(2,3)19-11(17)13-5-7(9(14)15)8(6-13)10(16)18-4/h7-8H,5-6H2,1-4H3,(H,14,15)/t7-,8+/m1/s1
InChIKey
NWRQXIQGLPCWCL-SFYZADRCSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.44
TPSA
93.14

LogP / Solubility

WLOGP
0.73
MLOGP
0.65
XLogP3
0.3
Consensus LogP
0.56
Log S (ESOL)
-1.86
Class (ESOL)
Soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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
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
Yes
Synthetic Accessibility
2.5

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