CAS RN: 1245708-07-9
Cyclohexaneacetic acid, 4-(4-hydroxyphenyl)-, Methyl ester, cis-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250501 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1245708-07-9
- Purity/Analytical Methods: >99.0%
1245708-07-9 / methyl 2-[4-(4-hydroxyphenyl)cyclohexyl]acetate
Basic Information
CAS
1245708-07-9
Multi CAS
No
Molecular Formula
C15H20O3
Molecular Weight
248.320000
Exact Mass
248.141245
SMILES
COC(=O)CC1CCC(CC1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H20O3/c1-18-15(17)10-11-2-4-12(5-3-11)13-6-8-14(16)9-7-13/h6-9,11-12,16H,2-5,10H2,1H3
InChIKey
WTNQUMAHFJRBGX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.44
TPSA
46.53
LogP / Solubility
WLOGP
3.23
MLOGP
2.85
XLogP3
3.6
Consensus LogP
3.23
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.31
Class (SILICOS-IT)
Slightly 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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