[email protected]
CAS 19037-68-4 7-HYDROXY-4-METHYL-6-NITROCOUMARIN molecular structure lightbox
CAS RN: 19037-68-4

7-HYDROXY-4-METHYL-6-NITROCOUMARIN

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250602 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS19037-68-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

19037-68-4 / 7-hydroxy-4-methyl-6-nitrochromen-2-one

Standard CAS: 19037-68-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19037-68-4
Multi CAS
No
Molecular Formula
C10H7NO5
Molecular Weight
221.170000
Exact Mass
221.032422
SMILES
CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])O
InChI
InChI=1S/C10H7NO5/c1-5-2-10(13)16-9-4-8(12)7(11(14)15)3-6(5)9/h2-4,12H,1H3
InChIKey
DPLGBPYLXGFDJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
55.54
TPSA
93.58

LogP / Solubility

WLOGP
1.72
MLOGP
1.51
XLogP3
2.3
Consensus LogP
1.84
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85

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
1.5

Customers Also Viewed

Get In Touch

Contact Us