[email protected]
CAS 18305-60-7 Di-tert-butyl Maleate molecular structure lightbox
CAS RN: 18305-60-7

Di-tert-butyl Maleate

Product Availability

Choose a grade to view its available package options.

4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251111 1g Out of stock Inquiry
Batchno.20251230 250mg Out of stock Inquiry
Batchno.20251218 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
Batchno.20250118 5g Out of stock Inquiry
  • Product code: starshine_CAS18305-60-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

18305-60-7 / ditert-butyl (Z)-but-2-enedioate

Standard CAS: 18305-60-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
18305-60-7
Multi CAS
No
Molecular Formula
C12H20O4
Molecular Weight
228.280000
Exact Mass
228.136159
SMILES
CC(C)(C)OC(=O)/C=C\C(=O)OC(C)(C)C
InChI
InChI=1S/C12H20O4/c1-11(2,3)15-9(13)7-8-10(14)16-12(4,5)6/h7-8H,1-6H3/b8-7-
InChIKey
MSVGHYYKWDQHFV-FPLPWBNLSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.83
TPSA
52.6

LogP / Solubility

WLOGP
2.23
MLOGP
1.96
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
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)
-2.53

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