![CAS 132339-37-8 (4S)-Hexahydro-6α-hydroxy-4α-(hydroxymethyl)-7α-methylcyclopenta[c]pyran-3(4H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/132339-37-8.gif)
CAS RN: 132339-37-8
(4S)-Hexahydro-6α-hydroxy-4α-(hydroxymethyl)-7α-methylcyclopenta[c]pyran-3(4H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260115 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS132339-37-8
- Purity/Analytical Methods: >99.0%
132339-37-8 / (4S,4aS,6S,7R,7aS)-6-hydroxy-4-(hydroxymethyl)-7-methyl-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
Basic Information
CAS
132339-37-8
Multi CAS
No
Molecular Formula
C10H16O4
Molecular Weight
200.230000
Exact Mass
200.104859
SMILES
C[C@H]1[C@H](C[C@H]2[C@@H]1COC(=O)[C@@H]2CO)O
InChI
InChI=1S/C10H16O4/c1-5-8-4-14-10(13)7(3-11)6(8)2-9(5)12/h5-9,11-12H,2-4H2,1H3/t5-,6-,7-,8-,9+/m1/s1
InChIKey
DYRWCEDTDIXFOD-OKNNCHMLSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.9
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.3
TPSA
66.76
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.19
XLogP3
0.5
Consensus LogP
0.03
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.9
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)
-4.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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