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CAS 16613-81-3 (1R,3S,5S)-6,6-Dimethylbicyclo[3.1.0]Hexan-3-Ol molecular structure lightbox
CAS RN: 16613-81-3

(1R,3S,5S)-6,6-Dimethylbicyclo[3.1.0]Hexan-3-Ol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 25mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-072530
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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 16613-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

16613-81-3 / (1R,5S)-6,6-dimethylbicyclo[3.1.0]hexan-3-ol

Standard CAS: 16613-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16613-81-3
Multi CAS
No
Molecular Formula
C8H14O
Molecular Weight
126.200000
Exact Mass
126.104465
SMILES
CC1([C@H]2[C@@H]1CC(C2)O)C
InChI
InChI=1S/C8H14O/c1-8(2)6-3-5(9)4-7(6)8/h5-7,9H,3-4H2,1-2H3/t5?,6-,7+
InChIKey
HUADUHNYPJBEBQ-DGUCWDHESA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
36
TPSA
20.23

LogP / Solubility

WLOGP
1.41
MLOGP
1.23
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
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)
-2.49

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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