CAS RN: 1228780-51-5
(2-(4-chlorophenyl)-4,4-diMethylcyclohex-1-enyl)Methanol
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.20251102 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-026526
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1228780-51-5 / [2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methanol
Basic Information
CAS
1228780-51-5
Multi CAS
No
Molecular Formula
C15H19ClO
Molecular Weight
250.760000
Exact Mass
250.112443
SMILES
CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CO)C
InChI
InChI=1S/C15H19ClO/c1-15(2)8-7-12(10-17)14(9-15)11-3-5-13(16)6-4-11/h3-6,17H,7-10H2,1-2H3
InChIKey
ZTRTWRMYWVEPEP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.09
TPSA
20.23
LogP / Solubility
WLOGP
4.3
MLOGP
3.79
XLogP3
3.6
Consensus LogP
3.9
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2
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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