[email protected]
CAS 1033699-62-5 (R)-1-tritylpyrrolidine-2-carbaldehyde molecular structure lightbox
CAS RN: 1033699-62-5

(R)-1-tritylpyrrolidine-2-carbaldehyde

  • Product code: SSC-004850
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 1033699-62-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1033699-62-5 / (2R)-1-tritylpyrrolidine-2-carbaldehyde

(R)-1-Tritylpyrrolidine-2-carbaldehyde | (2R)-1-tritylpyrrolidine-2-carbaldehyde | SCHEMBL15412932

Standard CAS: 1033699-62-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033699-62-5
Multi CAS
No
Molecular Formula
C24H23NO
Molecular Weight
341.400000
Exact Mass
341.177964
SMILES
C1C[C@@H](N(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=O
InChI
InChI=1S/C24H23NO/c26-19-23-17-10-18-25(23)24(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19,23H,10,17-18H2/t23-/m1/s1
InChIKey
BGWFJHBPHRTUOJ-HSZRJFAPSA-N
Synonyms
(R)-1-Tritylpyrrolidine-2-carbaldehyde (2R)-1-tritylpyrrolidine-2-carbaldehyde SCHEMBL15412932 MFCD35099650 DS-018870

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.21
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
105
TPSA
20.31

LogP / Solubility

WLOGP
4.64
MLOGP
4.1
XLogP3
5
Consensus LogP
4.58
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
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
No
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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