[email protected]
CAS 83999-94-4 (2S)-3-[1-(2,4-Dinitrophenyl)-1H-imidazol-4-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic molecular structure lightbox
CAS RN: 83999-94-4

(2S)-3-[1-(2,4-Dinitrophenyl)-1H-imidazol-4-yl]-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 100mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-191607
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 83999-94-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

83999-94-4 / (2S)-3-[1-(2,4-dinitrophenyl)imidazol-4-yl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 83999-94-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83999-94-4
Multi CAS
Yes
Molecular Formula
C27H21N5O8
Molecular Weight
543.500000
Exact Mass
543.139013
InChI
InChI=1S/C27H21N5O8/c33-26(34)23(11-16-13-30(15-28-16)24-10-9-17(31(36)37)12-25(24)32(38)39)29-27(35)40-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-10,12-13,15,22-23H,11,14H2,(H,29,35)(H,33,34)/t23-/m0/s1
InChIKey
SADTWOVRWZDGHL-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
23
Fraction Csp3
0.15
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
140.21
TPSA
179.73

LogP / Solubility

WLOGP
4.22
MLOGP
3.76
XLogP3
4.1
Consensus LogP
4.03
Log S (ESOL)
-5.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.78
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

Customers Also Viewed

Get In Touch

Contact Us