[email protected]
CAS 3600-77-9 5-azidobenzene-1,3-dicarboxylic acid molecular structure lightbox
CAS RN: 3600-77-9

5-azidobenzene-1,3-dicarboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260503 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS3600-77-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

3600-77-9 / 5-azidobenzene-1,3-dicarboxylic acid

Standard CAS: 3600-77-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
3600-77-9
Multi CAS
No
Molecular Formula
C8H5N3O4
Molecular Weight
207.140000
Exact Mass
207.028006
InChI
InChI=1S/C8H5N3O4/c9-11-10-6-2-4(7(12)13)1-5(3-6)8(14)15/h1-3H,(H,12,13)(H,14,15)
InChIKey
VBYIQUXRWBDNSS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.17
TPSA
123.36

LogP / Solubility

WLOGP
2.02
MLOGP
1.78
XLogP3
1.9
Consensus LogP
1.9
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.72
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly 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)
-2.55

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us