[email protected]
CAS 60395-85-9 METHYL 4-(4-BROMOPHENYL)-2,4-DIOXOBUTANOATE molecular structure lightbox
CAS RN: 60395-85-9

METHYL 4-(4-BROMOPHENYL)-2,4-DIOXOBUTANOATE

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250826 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS60395-85-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

60395-85-9 / methyl 4-(4-bromophenyl)-4-hydroxy-2-oxobut-3-enoate

Standard CAS: 60395-85-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60395-85-9
Multi CAS
Yes
Molecular Formula
C11H9BRO4
Molecular Weight
285.090000
Exact Mass
283.968420
InChI
InChI=1S/C11H9BrO4/c1-16-11(15)10(14)6-9(13)7-2-4-8(12)5-3-7/h2-5H,6H2,1H3
InChIKey
JLRNIIRSSQRNJQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.77
TPSA
63.6

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
2.8
Consensus LogP
2.25
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.98

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us