[email protected]
CAS 1998700-98-3 H-Asn(Trt)-OtBu molecular structure lightbox
CAS RN: 1998700-98-3

H-Asn(Trt)-OtBu

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260504 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-094093
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: ＞97%
  • 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 1998700-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

1998700-98-3 / tert-butyl (2S)-2-amino-4-oxo-4-(tritylamino)butanoate

Standard CAS: 1998700-98-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1998700-98-3
Multi CAS
No
Molecular Formula
C27H30N2O3
Molecular Weight
430.500000
Exact Mass
430.225643
SMILES
CC(C)(C)OC(=O)[C@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C27H30N2O3/c1-26(2,3)32-25(31)23(28)19-24(30)29-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19,28H2,1-3H3,(H,29,30)/t23-/m0/s1
InChIKey
IKBJPGWJMCFUFR-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
2
Molar refractivity
125.79
TPSA
81.42

LogP / Solubility

WLOGP
4.15
MLOGP
3.68
XLogP3
4.1
Consensus LogP
3.98
Log S (ESOL)
-5.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
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)
-2.4

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

Customers Also Viewed

Get In Touch

Contact Us