[email protected]
CAS 615582-98-4 (2S,4R)-tert-butyl4-((tert-butyldiphenylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate(WX192094) molecular structure lightbox
CAS RN: 615582-98-4

(2S,4R)-tert-butyl4-((tert-butyldiphenylsilyl)oxy)-2-(hydroxymethyl)pyrrolidine-1-carboxylate(WX192094)

  • Product code: SSC-170494
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 615582-98-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

615582-98-4 / tert-butyl (2S,4R)-4-[tert-butyl(diphenyl)silyl]oxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Standard CAS: 615582-98-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
615582-98-4
Multi CAS
Yes
Molecular Formula
C26H37NO4Si
Molecular Weight
455.700000
Exact Mass
455.249185
InChI
InChI=1S/C26H37NO4Si/c1-25(2,3)30-24(29)27-18-21(17-20(27)19-28)31-32(26(4,5)6,22-13-9-7-10-14-22)23-15-11-8-12-16-23/h7-16,20-21,28H,17-19H2,1-6H3/t20-,21+/m0/s1
InChIKey
NFWFWDHQKIZYSJ-LEWJYISDSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.5
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
130.92
TPSA
59

LogP / Solubility

WLOGP
3.93
MLOGP
3.49
XLogP3
3.93
Consensus LogP
3.78
Log S (ESOL)
-5.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us