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CAS 66194-68-1 Methanesulfonic acid,(1R)-1-methylpropyl ester molecular structure lightbox
CAS RN: 66194-68-1

Methanesulfonic acid,(1R)-1-methylpropyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260515 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS66194-68-1
  • Purity/Analytical Methods: >99.0%
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66194-68-1 / [(2R)-butan-2-yl] methanesulfonate

Standard CAS: 66194-68-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66194-68-1
Multi CAS
No
Molecular Formula
C5H12O3S
Molecular Weight
152.210000
Exact Mass
152.050715
InChI
InChI=1S/C5H12O3S/c1-4-5(2)8-9(3,6)7/h5H,4H2,1-3H3/t5-/m1/s1
InChIKey
BQWQGEBNCNNFCI-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
35.68
TPSA
43.37

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
1
Consensus LogP
0.81
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.36
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
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)
-3.11

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
2

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