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CAS 51800-99-8 3-HEPTAFLUOROBUTYRYL-(+)-CAMPHOR molecular structure lightbox
CAS RN: 51800-99-8

3-HEPTAFLUOROBUTYRYL-(+)-CAMPHOR

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260418 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS51800-99-8
  • Purity/Analytical Methods: >99.0%
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51800-99-8 / (1R,4R)-3-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

Standard CAS: 51800-99-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51800-99-8
Multi CAS
Yes
Molecular Formula
C14F7H15O2
Molecular Weight
348.260000
Exact Mass
348.096027
InChI
InChI=1S/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3/t6-,7?,11+/m1/s1
InChIKey
PEWOESYEGLBLNR-XGLFCGLISA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
64.07
TPSA
34.14

LogP / Solubility

WLOGP
4.03
MLOGP
3.56
XLogP3
4.6
Consensus LogP
4.06
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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