CAS RN: 59862-83-8
tert-butyl 5-bromofuran-2-carboxylate
Product Availability
Choose a grade to view its available package options.
3 package records1 with current stock1 grade group
- Product code: starshine_CAS59862-83-8
- Purity/Analytical Methods: >99.0%
59862-83-8 / tert-butyl 5-bromofuran-2-carboxylate
Basic Information
CAS
59862-83-8
Multi CAS
No
Molecular Formula
C9H11BRO3
Molecular Weight
247.090000
Exact Mass
245.989160
InChI
InChI=1S/C9H11BrO3/c1-9(2,3)13-8(11)6-4-5-7(10)12-6/h4-5H,1-3H3
InChIKey
JFDAPDWITQSTRY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
51.58
TPSA
39.44
LogP / Solubility
WLOGP
3
MLOGP
2.64
XLogP3
2.8
Consensus LogP
2.81
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
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)
-2.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
SULINDAC SULFONE
- CAS RN: 59864-04-9
- Product Code: starshine_CAS59864-04-9
- Purity/Analytical method: >99.0%
-
-
2-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-
- CAS RN: 59864-31-2
- Product Code: SSC-168433
-
Isocyclosporin A
- CAS RN: 59865-16-6
- Product Code: starshine_CAS59865-16-6
- Purity/Analytical method: >99.0%
-
methyl 2-(2-amino-4-methyl-1,3-thiazol-5-yl)acetate
- CAS RN: 59865-90-6
- Product Code: SSC-168436
-
5-BROMO-NAPHTHALENE-1-CARBOXYLIC ACID METHYL ESTER
- CAS RN: 59866-97-6
- Product Code: SSC-168437
