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CAS 56718-04-8 (R)-(-)-1,4-pentanediol molecular structure lightbox
CAS RN: 56718-04-8

(R)-(-)-1,4-pentanediol

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250109 100mg / 250mg / 500mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS56718-04-8
  • Purity/Analytical Methods: >99.0%
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56718-04-8 / (4R)-pentane-1,4-diol

Standard CAS: 56718-04-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
56718-04-8
Multi CAS
Yes
Molecular Formula
C5H12O2
Molecular Weight
104.150000
Exact Mass
104.083730
InChI
InChI=1S/C5H12O2/c1-5(7)3-2-4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKey
GLOBUAZSRIOKLN-RXMQYKEDSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
28
TPSA
40.46

LogP / Solubility

WLOGP
0.14
MLOGP
0.11
Consensus LogP
0.08
Log S (ESOL)
-0.38
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.81
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)
-3.26

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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