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CAS 99210-90-9 (R)-(-)-2-Methyl-2,4-pentanediol molecular structure lightbox
CAS RN: 99210-90-9

(R)-(-)-2-Methyl-2,4-pentanediol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250905 1g Out of stock 8-10 business days Inquiry
  • Product code: LINR921527
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99210-90-9 / (4R)-2-methylpentane-2,4-diol

Standard CAS: 99210-90-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99210-90-9
Multi CAS
Yes
Molecular Formula
C6H14O2
Molecular Weight
118.170000
Exact Mass
118.099380
InChI
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m1/s1
InChIKey
SVTBMSDMJJWYQN-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.6
TPSA
40.46

LogP / Solubility

WLOGP
0.53
MLOGP
0.45
XLogP3
0.3
Consensus LogP
0.43
Log S (ESOL)
-0.77
Class (ESOL)
Very soluble
Log S (Ali)
-0.91
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.11
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)
-3.07

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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