CAS RN: 762-75-4
TERT-BUTYL FORMATE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS762-75-4
- Purity/Analytical Methods: >99.0%
762-75-4 / tert-butyl formate
Basic Information
CAS
762-75-4
Multi CAS
Yes
Molecular Formula
C5H10O2
Molecular Weight
102.130000
Exact Mass
102.068080
InChI
InChI=1S/C5H10O2/c1-5(2,3)7-4-6/h4H,1-3H3
InChIKey
RUPAXCPQAAOIPB-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Fraction Csp3
0.8
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
26.9
TPSA
26.3
LogP / Solubility
WLOGP
0.96
MLOGP
0.83
XLogP3
1.1
Consensus LogP
0.96
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-1.09
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.24
Class (SILICOS-IT)
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS762-84-5
- Purity/Analytical method: >99.0%
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