CAS RN: 1007125-14-5
3-(Hydroxymethyl)cyclopental
Product Availability
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4 package records0 with current stock2 grade groups
- Product code: starshine_CAS1007125-14-5
- Purity/Analytical Methods: >99.0%
1007125-14-5 / trans-(1S,3S)-3-(hydroxymethyl)cyclopentan-1-ol
3-(HYDROXYMETHYL)CYCLOPENTAN-1-OL | DTXSID60554397 | RefChem:275609
Basic Information
CAS
1007125-14-5
Multi CAS
Yes
Molecular Formula
C6H12O2
Molecular Weight
116.160000
Exact Mass
116.083730
SMILES
C1C[C@@H](C[C@H]1CO)O
InChI
InChI=1S/C6H12O2/c7-4-5-1-2-6(8)3-5/h5-8H,1-4H2/t5-,6-/m0/s1
InChIKey
ZBAXTIFHKIGLEJ-WDSKDSINSA-N
Synonyms
3-(HYDROXYMETHYL)CYCLOPENTAN-1-OL
DTXSID60554397
RefChem:275609
DTXCID40505180
Cyclopentanemethanol, 3-hydroxy-
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.43
TPSA
40.46
LogP / Solubility
WLOGP
0.14
MLOGP
0.11
Consensus LogP
0.08
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.61
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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