[email protected]
CAS 7369-91-7 H-PRO-PNA HBR molecular structure lightbox
CAS RN: 7369-91-7

H-PRO-PNA HBR

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260122 50mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS7369-91-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

7369-91-7 / N-(4-nitrophenyl)pyrrolidine-2-carboxamide

Standard CAS: 7369-91-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7369-91-7
Multi CAS
Yes
Molecular Formula
C11H13N3O3
Molecular Weight
235.240000
Exact Mass
235.095691
InChI
InChI=1S/C11H13N3O3/c15-11(10-2-1-7-12-10)13-8-3-5-9(6-4-8)14(16)17/h3-6,10,12H,1-2,7H2,(H,13,15)
InChIKey
JWXPYNYNEUYKOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.75
TPSA
84.27

LogP / Solubility

WLOGP
1.29
MLOGP
1.14
XLogP3
1.1
Consensus LogP
1.18
Log S (ESOL)
-2.17
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.42
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.24

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

Customers Also Viewed

Get In Touch

Contact Us