[email protected]
CAS 335030-80-3 ASISCHEM C63549 molecular structure lightbox
CAS RN: 335030-80-3

ASISCHEM C63549

Product Availability

Choose a grade to view its available package options.

3 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260218 100mg Out of stock Inquiry
Batchno.20251109 1g In stock Inquiry
Batchno.20250504 250mg Out of stock Inquiry
  • Product code: starshine_CAS335030-80-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

335030-80-3 / (E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid

Standard CAS: 335030-80-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
335030-80-3
Multi CAS
Yes
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
InChI
InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+
InChIKey
ZSTSKJFUYGWSPO-OWOJBTEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
43.11
TPSA
89.1

LogP / Solubility

WLOGP
0.16
MLOGP
0.13
XLogP3
-0.2
Consensus LogP
0.03
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.03
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.1
Class (SILICOS-IT)
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)
-3.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us