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CAS 61380-96-9 REL-(3R,3AR,5R,6AR,7R)-7-hydroxyhexahydro-2H-3,5-methanol ring [B]furan-2-one molecular structure lightbox
CAS RN: 61380-96-9

REL-(3R,3AR,5R,6AR,7R)-7-hydroxyhexahydro-2H-3,5-methanol ring [B]furan-2-one

  • Product code: SSC-170239
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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 61380-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

61380-96-9 / 9-hydroxy-4-oxatricyclo[4.2.1.03,7]nonan-5-one

Standard CAS: 61380-96-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
61380-96-9
Multi CAS
Yes
Molecular Formula
C8H10O3
Molecular Weight
154.160000
Exact Mass
154.062994
InChI
InChI=1S/C8H10O3/c9-7-3-1-4-5(2-3)11-8(10)6(4)7/h3-7,9H,1-2H2/t3-,4+,5-,6-,7-/m1/s1
InChIKey
DYXHDLWIDMRVPI-IECVIRLLSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.88
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.59
TPSA
46.53

LogP / Solubility

WLOGP
-0.07
MLOGP
-0.07
XLogP3
0.1
Consensus LogP
-0.01
Log S (ESOL)
-0.75
Class (ESOL)
Very soluble
Log S (Ali)
-0.77
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6

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