[email protected]
CAS 88793-79-7 N-P-TOSYL-GLY-PRO-LYS P-NITROANILIDE ACETATE SALT molecular structure lightbox
CAS RN: 88793-79-7

N-P-TOSYL-GLY-PRO-LYS P-NITROANILIDE ACETATE SALT

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260612 5mg / 10mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS88793-79-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

88793-79-7 / acetic acid;(2S)-N-[(2S)-6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]-1-[2-[(4-methylphenyl)sulfonylamino]acetyl]pyrrolidine-2-carboxamide

Standard CAS: 88793-79-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88793-79-7
Multi CAS
Yes
Molecular Formula
C28H38N6O9S
Molecular Weight
634.700000
Exact Mass
634.242098
InChI
InChI=1S/C26H34N6O7S.C2H4O2/c1-18-7-13-21(14-8-18)40(38,39)28-17-24(33)31-16-4-6-23(31)26(35)30-22(5-2-3-15-27)25(34)29-19-9-11-20(12-10-19)32(36)37;1-2(3)4/h7-14,22-23,28H,2-6,15-17,27H2,1H3,(H,29,34)(H,30,35);1H3,(H,3,4)/t22-,23-;/m0./s1
InChIKey
KPGSNEYSJPIZCW-SJEIDVEUSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
5
Molar refractivity
160.97
TPSA
231.14

LogP / Solubility

WLOGP
1.52
MLOGP
1.39
XLogP3
1.52
Consensus LogP
1.48
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.6
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.52

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

Customers Also Viewed

Get In Touch

Contact Us