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CAS 3979-51-9 Isopropanol-d molecular structure lightbox
CAS RN: 3979-51-9

Isopropanol-d

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260117 200mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai, Hebei, Guangdong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260324 200mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS3979-51-9
  • Purity/Analytical Methods: >99.0%
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3979-51-9 / 2-deuteriooxypropane

Standard CAS: 3979-51-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3979-51-9
Multi CAS
Yes
Molecular Formula
C3H8O
Molecular Weight
61.100000
Exact Mass
61.063792
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i4D
InChIKey
KFZMGEQAYNKOFK-QYKNYGDISA-N

Computed Properties

Structural Parameters

Heavy atom count
4
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
17.35
TPSA
20.23

LogP / Solubility

WLOGP
0.39
MLOGP
0.32
XLogP3
0.3
Consensus LogP
0.34
Log S (ESOL)
-0.46
Class (ESOL)
Very soluble
Log S (Ali)
-0.33
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.37
Class (SILICOS-IT)
Very 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)
-2.81

Drug-likeness / Medicinal Chemistry

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

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