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CAS 199119-46-5 (R)-2-Amino-3-(1-trityl-1H-imidazol-4-yl)propanoic acid molecular structure lightbox
CAS RN: 199119-46-5

(R)-2-Amino-3-(1-trityl-1H-imidazol-4-yl)propanoic acid

  • Product code: SSC-093770
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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: 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 199119-46-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

199119-46-5 / (2R)-2-amino-3-(1-tritylimidazol-4-yl)propanoic acid

Standard CAS: 199119-46-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199119-46-5
Multi CAS
No
Molecular Formula
C25H23N3O2
Molecular Weight
397.500000
Exact Mass
397.179027
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C[C@H](C(=O)O)N
InChI
InChI=1S/C25H23N3O2/c26-23(24(29)30)16-22-17-28(18-27-22)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,23H,16,26H2,(H,29,30)/t23-/m1/s1
InChIKey
BSZQZNOAYQCQFZ-HSZRJFAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
23
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
116.15
TPSA
81.14

LogP / Solubility

WLOGP
3.68
MLOGP
3.26
XLogP3
1.5
Consensus LogP
2.81
Log S (ESOL)
-4.73
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.53

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

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