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CAS 66251-18-1 (1R,3aR,7aR)-7a-Methyl-1-((R)-6-Methylheptan-2-yl)hexahydro-1H-inden-4(2H)-one molecular structure lightbox
CAS RN: 66251-18-1

(1R,3aR,7aR)-7a-Methyl-1-((R)-6-Methylheptan-2-yl)hexahydro-1H-inden-4(2H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-175889
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 66251-18-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

66251-18-1 / (1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

Standard CAS: 66251-18-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
66251-18-1
Multi CAS
Yes
Molecular Formula
C18H32O
Molecular Weight
264.400000
Exact Mass
264.245316
InChI
InChI=1S/C18H32O/c1-13(2)7-5-8-14(3)15-10-11-16-17(19)9-6-12-18(15,16)4/h13-16H,5-12H2,1-4H3/t14-,15-,16+,18-/m1/s1
InChIKey
ATMUYWZMPLKPEJ-XLMAVXFVSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
5
H-bond acceptors
1
Molar refractivity
81.03
TPSA
17.07

LogP / Solubility

WLOGP
5.23
MLOGP
4.61
XLogP3
5.9
Consensus LogP
5.25
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
Class (SILICOS-IT)
Insoluble

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)
-0.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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